SCHEMBL22355504

SCHEMBL22355504

CC1(c2ccc3c(N)ncnn23)C[C@H](O)[C@@H](COP(=O)(O)Oc2ccccc2)O1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ TRPM2 O94759 2/20 0.34
▸ TNK2 Q07912 1/20 0.33
▸ P2RY12 Q9H244 3/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ P2RY2 P41231 3/20 0.32
▸ P2RY1 P47900 1/20 0.32

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
SCHEMBL23047655 0.87 POLRMT (0.49) POLRMTP2RY2P2RY1
SCHEMBL19223073 0.85 POLRMT (0.41) POLRMTALDH1A1TRPM2P2RY12P2RY2
SCHEMBL23034475 0.85 POLRMT (0.41) POLRMTALDH1A1TRPM2P2RY12P2RY2
SCHEMBL10154324 0.84 CYP3A4 (0.40) RIPK1
SCHEMBL10154323 0.83 CYP3A4 (0.46) RIPK1
SCHEMBL24119305 0.81 CYP3A4 (0.38) RIPK1
SCHEMBL26001843 0.80 TMPRSS2 (0.40) POLRMTALDH1A1TRPM2P2RY12P2RY2
SCHEMBL24790485 0.80 PIK3CD (0.35) POLRMTTNK2RIPK1
SCHEMBL20878443 0.80 TMPRSS2 (0.45) POLRMTTRPM2P2RY12P2RY2
SCHEMBL17722662 0.80 TMPRSS2 (0.45) POLRMTTRPM2P2RY12P2RY2

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-3695844-A1 METHODS FOR TREATING NIPAH VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-08-19 — — EP disclosed
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