SCHEMBL7833366

SCHEMBL7833366

COc1ccc(-c2c(C(=O)O)c(CSc3nc4cc(F)ccc4[nH]3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ENPP1 P22413 5/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FPR2 P25090 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL7833380 0.93 AMY1A (0.47) MAPTSMN1; SMN2ENPP1ALOX5AMY1A
SCHEMBL7831847 0.90 SLC10A2 (0.45) MAPTSMN1; SMN2ENPP1AMY1ALMNA
SCHEMBL7831401 0.89 SMN1; SMN2 (0.54) MAPTSMN1; SMN2TP53LMNATHRB
SCHEMBL7833295 0.84 SLC10A2 (0.45) MAPTSMN1; SMN2ENPP1AMY1ATHRB
SCHEMBL7821021 0.83 MAPK1 (0.53) MAPTSMN1; SMN2MAPK1CYP1A2ALDH1A1
SCHEMBL7834113 0.81 SMN1; SMN2 (0.52) MAPTSMN1; SMN2TP53LMNACYP1A2
SCHEMBL7829964 0.80 ALDH1A1 (0.45) MAPTSMN1; SMN2LMNATHRBMAPK1
SCHEMBL7829702 0.79 SMN1; SMN2 (0.51) MAPTSMN1; SMN2TP53LMNATHRB
SCHEMBL7836104 0.77 FABP3 (0.44) MAPTSMN1; SMN2TP53LMNACYP3A4
SCHEMBL14917022 0.77 PDE5A (0.48) MAPTSMN1; SMN2LMNAKMT2AALDH1A1

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
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
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