SCHEMBL9306694

SCHEMBL9306694

O=C(O)c1ccc2nc3ccccc3c(=O)n2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.53
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
ALDH1A1 P00352 7/20 0.50
MITF O75030 1/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 7/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9305847 0.86 HSD17B10 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL9309039 0.83 AKR1B1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL9307792 0.82 RAB9A (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL9307409 0.81 HSD17B10 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL9307464 0.81 ALPG (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL9306891 0.80 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL8100877 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL9306771 0.78 NTRK1 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL9306095 0.77 ALPG (0.60) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL9309118 0.77 NTRK1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4250177-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1981-02-10 US claimed
US-5340808-A Fused pyridazinoquinazolone derivatives as neurotrophic agents WARNER LAMBERT COMPANY (US) 1994-08-23 US disclosed
WO-1994011373-A1 PYRIDAZINOQUINAZOLONE DERIVATIVES AS NEUROTROPHIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-05-26 WO disclosed
US-4250177-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1981-02-10 US disclosed
US-4250177-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1981-02-10 US disclosed
US-4250177-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1981-02-10 US disclosed