SCHEMBL7870138

SCHEMBL7870138

Nc1cc(Br)ccc1-c1ccccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.42
ERN1 O75460 1/20 0.42
GPR35 Q9HC97 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A6 P11509 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.36
XDH P47989 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TRIM24 O15164 2/20 0.34
TRIM33 Q9UPN9 2/20 0.34
S100A4 P26447 1/20 0.34
TSHR P16473 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL3589058 0.86 PTPRC (0.42) PTPRCERN1GPR35MEN1LMNA
SCHEMBL5484357 0.86 ERN1 (0.44) PTPRCERN1GPR35MEN1KMT2A
SCHEMBL16050105 0.82 ERN1 (0.44) PTPRCERN1MEN1LMNATHRB
SCHEMBL3360989 0.82 PTPRC (0.47) PTPRCERN1MEN1LMNATHRB
SCHEMBL1341637 0.79 ELANE (0.43) MEN1LMNATHRBBLMKMT2A
SCHEMBL11728230 0.79 ALDH1A1 (0.59) PTPRCGPR35MEN1KMT2ATDP1
SCHEMBL643993 0.79 ALDH1A1 (0.59) PTPRCERN1MEN1LMNATHRB
SCHEMBL16050103 0.79 PTPRC (0.48) PTPRCERN1MEN1LMNATHRB
SCHEMBL2841295 0.77 GPR35 (0.59) PTPRCGPR35MEN1KMT2ACYP2A6
SCHEMBL10395877 0.76 MAPT (0.47) MEN1LMNATHRBBLMKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789701-B1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2001-02-07 EP disclosed
EP-0789701-A1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-20 EP disclosed
US-5552399-A TREATMENT OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-03 US disclosed
WO-1996014320-A1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-17 WO disclosed