SCHEMBL7834035

SCHEMBL7834035

COc1ccc(-c2c(C(=O)O)c(CSc3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41

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
SCHEMBL7835953 0.97 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7813272 0.93 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9563431 0.92 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7831681 0.92 NPC1 (0.47) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7835405 0.92 NPC1 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7812297 0.91 KMT2A (0.42) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7830610 0.90 SLC10A2 (0.47) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7809634 0.89 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7821006 0.89 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9563414 0.88 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
EP-0634169-B1 Quinoline or quinazoline derivatives and their use in the manufacture of a medicament for the treatment of osteoporosis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-01-05 — — EP claimed
EP-0634169-B1 Quinoline or quinazoline derivatives and their use in the manufacture of a medicament for the treatment of osteoporosis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-01-05 — — EP disclosed
US-5948782-A ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES TAKEDA CHEMICAL (JP) 1999-09-07 — — US disclosed
US-5852039-A Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-22 — — US disclosed
US-5719157-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US disclosed
EP-0634169-A1 Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 — — EP disclosed
EP-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 — — EP disclosed
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