SCHEMBL7306874

SCHEMBL7306874

O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1F)=[N+]([O-])C(CCl)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTPRC P08575 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
S100A4 P26447 1/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
CCKBR P32239 1/20 0.37
OPRK1 P41145 1/20 0.37
MC3R P41968 1/20 0.37
GHSR Q92847 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8509534 0.82 CHRM1 (0.40) CCKBRCCNE2CCNE1CDK2
SCHEMBL7308428 0.70 MEN1 (0.41) MEN1KMT2APTPRCBCHEACHE
SCHEMBL7308432 0.70 MEN1 (0.41) MEN1KMT2APTPRCBCHEACHE
SCHEMBL14744521 0.65 MAPT (0.53) MEN1KMT2APTPRCBCHEACHE
SCHEMBL4910527 0.64 ALDH1A1 (0.67) MEN1KMT2APTPRCBCHEACHE
SCHEMBL11462192 0.64 GABRA1 (0.47) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL10971587 0.64 LMNA (0.54) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL3870422 0.63 ALDH1A1 (0.61) MEN1KMT2APTPRCBCHEACHE
SCHEMBL11070068 0.63 GABRA1 (0.48) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL11081506 0.63 GABRA1 (0.48) MEN1KMT2AGABRA1GABRG2GABRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US disclosed
US-4425272-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1984-01-10 US disclosed
US-4401597-A INTERMEDIATES FOR ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVE AND ANXIOLYTICS HOFFMANN-LA ROCHE INC. (US) 1983-08-30 US disclosed
US-4390471-A INTERMEDIATES FOR IMIDOBENZODIAZEPINE AND ANALOGS HOFFMANN-LA ROCHE INC. (US) 1983-06-28 US disclosed
US-4377523-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1983-03-22 US disclosed
US-4376075-A REACTION OF AN AMINODERIVATIVE THEREOF WITH AN ALDEHYDE HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4376074-A ANTICONVULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4371468-A ANTICONVULSANTS, MUSCLE RELAXANTS, AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-02-01 US disclosed
US-4368157-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368159-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368158-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4349477-A IMIPAZO/1,5-A//1,4/BENZO-, THIENO- OR PYRAZOLODIAZEPINES FROM 2-DIMORPHOLINOPHOSPHONATES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349476-A IMIDAZO/1,5-A//1,4) BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINE HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349475-A IMIDAZO/1,5-A//1,4/BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZOTHIENO-OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4347365-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4347364-A INTERMEDIATES THEREFOR HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4307237-A ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed
US-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed