SCHEMBL6180503

SCHEMBL6180503

O=C(CBr)N(CCOCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL8501723 0.76 L3MBTL1 (0.59) TP53SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10695941 0.75 MEN1 (0.51) TP53SMN1; SMN2HTTALDH1A1NPC1
SCHEMBL271899 0.74 TP53 (0.64) TP53SMN1; SMN2HTTALDH1A1NPC1
SCHEMBL9614163 0.73 ALDH1A1 (0.48) TP53SMN1; SMN2HTTALDH1A1NPC1
SCHEMBL22160774 0.72 MEN1 (0.51) TP53SMN1; SMN2HTTALDH1A1NPC1
SCHEMBL9768334 0.72 PPARG (0.56) SMN1; SMN2HTTALDH1A1LMNATSHR
SCHEMBL11687381 0.72 PPARG (0.56) SMN1; SMN2HTTALDH1A1LMNATSHR
SCHEMBL2315674 0.71 TSHR (0.48) SMN1; SMN2HTTALDH1A1LMNATSHR
SCHEMBL20363128 0.71 ALDH1A1 (0.61) SMN1; SMN2HTTALDH1A1NPC1GLA
SCHEMBL3138023 0.71 ALDH1A1 (0.66) TP53SMN1; SMN2HTTALDH1A1NPC1

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-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed