SCHEMBL7277600

SCHEMBL7277600

CC(=O)N1CCOc2c(C(=O)O)cc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 4/20 0.42
LMNA P02545 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
AKR1B1 P15121 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL7269116 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL12405390 0.81 LMNA (0.50) NOTUMALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL7275808 0.79 NOTUM (0.53) NOTUMMAPTTP53
SCHEMBL7278038 0.78 HTR3A (0.50) ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL396467 0.75 NOTUM (0.57) NOTUMLMNAMEN1KMT2APAX8
SCHEMBL7278918 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL1548733 0.73 NOTUM (0.68) NOTUM
SCHEMBL4179993 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTLMNAMAPT
Hydrochloric Acid SCHEMBL7290643 0.72 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL1549100 0.72 NOTUM (0.45) NOTUMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
US-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed