SCHEMBL9868134

SCHEMBL9868134

O=C(O)c1cc(C(=O)O)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACLY P53396 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CASP7 P55210 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MYC P01106 2/20 0.37
NR4A1 P22736 1/20 0.37
AKR1C4 P17516 1/20 0.36

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
SCHEMBL9868485 0.85 NPC1 (0.46) NPC1RAB9AALDH1A1CYP2C9HPGD
SCHEMBL31267556 0.83 ALB (0.41) CA1CA2NPC1RAB9AALDH1A1
SCHEMBL9868355 0.81 MYC (0.46) CA1CA2NPC1RAB9AHSD17B10
SCHEMBL10449414 0.79 NPC1 (0.41) ACLYNPC1RAB9AALDH1A1HPGD
SCHEMBL1263202 0.75 NPC1 (0.52) NPC1RAB9AALDH1A1CYP2C9HPGD
SCHEMBL1263224 0.73 ALDH1A1 (0.40) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1264027 0.73 RAB9A (0.49) NPC1RAB9AALDH1A1CYP2C9HPGD
SCHEMBL1264313 0.73 NPC1 (0.49) NPC1RAB9AALDH1A1CYP2C9HPGD
SCHEMBL1263207 0.72 ALDH1A1 (0.38) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6860430 0.72 NPC1 (0.43) NPC1RAB9AALDH1A1CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071995-A Excellent ultraviolet absorbability for polyesters and polyamides; high thermal stability KURARAY CO., LTD. (JP) 1991-12-10 US disclosed
EP-0363839-A1 2-hydroxyphenylbenzotriazol compounds and the use thereof KURARAY CO., LTD. (JP) 1990-04-18 EP disclosed