SCHEMBL8534736

SCHEMBL8534736

O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.87
ALDH1A1 P00352 6/20 0.65
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
GLA P06280 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
AGTR1 P30556 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL22416704 0.84 RAB9A (0.66) RAB9AALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL15609584 0.83 RAB9A (0.65) RAB9AALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL22416771 0.82 GLA (0.68) RAB9AALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL6160168 0.82 RAB9A (0.66) RAB9AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8534533 0.82 RAB9A (0.63) RAB9AALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL5948139 0.82 GLA (0.74) RAB9AALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL15610559 0.81 RAB9A (0.65) RAB9AALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL23014104 0.81 ALDH1A1 (0.77) RAB9AALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL1083633 0.81 MEN1 (0.77) RAB9AALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL2825416 0.81 MAPT (0.69) RAB9AALDH1A1HPGDSMN1; SMN2MEN1

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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed