SCHEMBL9868485

SCHEMBL9868485

O=C(O)c1cc(C(=O)O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
ATIC P31939 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 4/20 0.38
PTPN1 P18031 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9868134 0.85 CA1 (0.40) NPC1RAB9APOLBHPGDHSD17B10
SCHEMBL10449414 0.84 NPC1 (0.41) NPC1RAB9AHPGDHSD17B10TSHR
SCHEMBL28383039 0.84 NPC1 (0.51) NPC1RAB9APOLBLMNAHPGD
SCHEMBL29351738 0.80 NPC1 (0.45) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL18928208 0.80 KMT2A (0.53) NPC1RAB9APOLBLMNAHPGD
SCHEMBL226646 0.80 NPC1 (0.45) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL5166388 0.80 ALDH1A1 (0.47) NPC1RAB9APOLBLMNAHPGD
SCHEMBL28601258 0.79 KDM4E (0.39) NPC1RAB9APOLBLMNAHPGD
SCHEMBL31309385 0.78 NPC1 (0.59) NPC1RAB9APOLBLMNAHPGD
SCHEMBL2797053 0.78 NPC1 (0.59) NPC1RAB9APOLBLMNAHPGD

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