SCHEMBL10495652

SCHEMBL10495652

O=[N+]([O-])c1ccc(C=Cc2cnccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
MAPT P10636 7/20 0.63
NPC1 O15118 5/20 0.63
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
APP P05067 1/20 0.50
MAPK1 P28482 1/20 0.50
FBP1 P09467 1/20 0.49
PTGS2 P35354 4/20 0.48
PTGS1 P23219 2/20 0.47
CYP19A1 P11511 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL29240838 0.83 RAB9A (0.81) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL30990554 0.83 RAB9A (0.81) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL9058120 0.81 NPC1 (0.70) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL10495657 0.81 MAPT (0.72) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL9805966 0.81 NPC1 (0.70) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL10495651 0.81 MAPT (0.72) RAB9AMAPTNPC1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9388188 0.79 NPC1 (0.68) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL62411 0.78 MAPT (1.00) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL62412 0.78 MAPT (1.00) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL76742 0.78 MAPT (0.67) RAB9AMAPTNPC1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886801-A Diazine-ethenylphenyl oxamic acids and esters and salts thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1989-12-12 US disclosed
US-4788198-A ANTIALLERGENS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1988-11-29 US disclosed
EP-0137979-B1 DIAZINE-ETHENYLPHENYL OXAMIC ACIDS AND ESTERS AND SALTS THEREOF Boehringer Ingelheim Pharmaceuticals Inc. (US) 1988-10-26 EP disclosed
US-4681884-A ANTIALLERGEN, ANTIINFLAMMATORY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1987-07-21 US disclosed
EP-0137979-A1 Diazine-ethenylphenyl oxamic acids and esters and salts thereof Boehringer Ingelheim Pharmaceuticals Inc. (US) 1985-04-24 EP disclosed