SCHEMBL7833380

SCHEMBL7833380

COc1ccc(-c2c(C(=O)O)c(CSc3nc4ccc(F)cc4[nH]3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 4/20 0.47
▸ ENPP1 P22413 1/20 0.45
▸ CYP2E1 P05181 3/20 0.42
▸ CYP2C8 P10632 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2B6 P20813 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL7833366 0.93 MAPT (0.42) AMY1AENPP1CYP2E1CYP2C8CYP2D6
SCHEMBL7833295 0.90 SLC10A2 (0.45) AMY1AENPP1MAPTSMN1; SMN2FPR2
SCHEMBL7831401 0.89 SMN1; SMN2 (0.54) MAPTSMN1; SMN2KMT2AHTTTP53
SCHEMBL7831847 0.84 SLC10A2 (0.45) AMY1AENPP1MAPTSMN1; SMN2KMT2A
SCHEMBL7821021 0.83 MAPK1 (0.53) CYP1A2MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL7834113 0.81 SMN1; SMN2 (0.52) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL7829964 0.80 ALDH1A1 (0.45) MAPTSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL7829702 0.79 SMN1; SMN2 (0.51) MAPTSMN1; SMN2KMT2ATUBB4ATUBB
SCHEMBL7836104 0.77 FABP3 (0.44) CYP2C9CYP2C19CYP3A4MAPTSMN1; SMN2
SCHEMBL14917022 0.77 PDE5A (0.48) MAPTSMN1; SMN2KMT2ATUBB4ATUBB

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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