SCHEMBL11374157

SCHEMBL11374157

CCc1ccc2oc3cc(C(=O)O)c(C(=O)O)nc3c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.44
▸ IKBKE Q14164 4/20 0.44
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 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
SCHEMBL11364300 0.88 TBK1 (0.47) TBK1IKBKEPOLBNPC1RAB9A
SCHEMBL11362855 0.88 RAB9A (0.51) TBK1IKBKEPOLBNPC1RAB9A
SCHEMBL2907432 0.87 TBK1 (0.56) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11098702 0.87 TBK1 (0.43) TBK1IKBKEPOLBNPC1RAB9A
SCHEMBL11369213 0.85 TBK1 (0.42) TBK1IKBKEPOLBNPC1RAB9A
SCHEMBL11359964 0.85 TBK1 (0.42) TBK1IKBKEPOLBNPC1RAB9A
SCHEMBL11550983 0.84 POLB (0.43) TBK1IKBKEPOLBNPC1RAB9A
SCHEMBL11366969 0.84 NPC1 (0.48) TBK1POLBNPC1RAB9AALDH1A1
SCHEMBL11357243 0.83 RAB9A (0.49) TBK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11356857 0.81 TTR (0.56) POLBNPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US claimed
US-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US disclosed
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US disclosed
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US disclosed
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