SCHEMBL19375459

SCHEMBL19375459

Cc1cnc(Cn2c(Oc3cccc(Cl)c3)nc3c2C(=O)N(CCCO)C(O)N3C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 4/20 0.43
▸ TRPC4 Q9UBN4 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TRPC1 P48995 1/20 0.35
▸ CYP1A2 P05177 12/20 0.35
▸ CYP2C9 P11712 10/20 0.35
▸ CYP2C19 P33261 10/20 0.35
▸ ALDH1A1 P00352 10/20 0.35
▸ TSHR P16473 9/20 0.35
▸ CYP3A4 P08684 9/20 0.35
▸ USP2 O75604 7/20 0.35
▸ HSD17B10 Q99714 5/20 0.35
▸ CASP1 P29466 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL19505247 0.92 TSHR (0.35) TRPC5TRPC4KCNH2TRPC1CYP2C9
SCHEMBL20432298 0.91 TRPC5 (0.33) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL21499681 0.91 P2RX3 (0.40) TRPC5TRPC4KCNH2P2RX3
SCHEMBL21499685 0.89 TRPC5 (0.43) TRPC5TRPC4KCNH2TRPC1
SCHEMBL22619613 0.86 TRPC5 (0.57) TRPC5TRPC4KCNH2TRPC1CYP1A2
SCHEMBL19505557 0.86 P2RX3 (0.34) KCNH2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20432276 0.84 TRPC5 (0.34) TRPC5TRPC4TRPC1P2RX3
SCHEMBL18834309 0.82 TRPC5 (0.44) TRPC5TRPC4KCNH2TRPC1CYP1A2
SCHEMBL19505249 0.82 TRPC5 (0.49) TRPC5TRPC4KCNH2TRPC1ALDH1A1
SCHEMBL19505333 0.82 P2RX3 (0.38) TRPC5TRPC4KCNH2P2RX3

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-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
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