SCHEMBL9309110

SCHEMBL9309110

O=C(O)c1ccc2nc3ccc(NOCc4ccccc4)cc3c(=O)n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
NTRK1 P04629 1/20 0.37
NGFR P08138 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HSD17B10 Q99714 3/20 0.35
CETP P11597 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
CASP1 P29466 2/20 0.35
HTT P42858 2/20 0.35
CASP7 P55210 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 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
SCHEMBL9309118 0.84 NTRK1 (0.39) SCDBCHEACHENTRK1NGFR
SCHEMBL9306771 0.79 NTRK1 (0.59) NTRK1NGFRNPC1RAB9ASMN1; SMN2
SCHEMBL9305847 0.75 HSD17B10 (0.43) NPC1RAB9ASMN1; SMN2HSD17B10TDP1
SCHEMBL9306694 0.75 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10TDP1
SCHEMBL9307464 0.74 ALPG (0.46) NPC1RAB9ASMN1; SMN2HSD17B10TDP1
SCHEMBL9306949 0.73 P4HTM (0.51) NTRK1NGFRNPC1RAB9ASMN1; SMN2
SCHEMBL9306891 0.73 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9306095 0.72 ALPG (0.60) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9306208 0.72 NTRK1 (0.48) NTRK1NGFRRXFP1NPC1RAB9A
SCHEMBL9306916 0.72 NTRK1 (0.51) NTRK1NGFRNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340808-A Fused pyridazinoquinazolone derivatives as neurotrophic agents WARNER LAMBERT COMPANY (US) 1994-08-23 US disclosed