SCHEMBL20656002

SCHEMBL20656002

Cc1ccc(Cn2c(-c3cccnc3C)nc3c2c(=O)n(CCCOC2CCCCO2)c(=O)n3C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 11/20 0.45
▸ MAPK1 P28482 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL20655999 0.86 P2RX3 (0.45) P2RX3
SCHEMBL20655939 0.83 P2RX3 (0.43) P2RX3MAPK1LMNA
SCHEMBL20656226 0.82 P2RX3 (0.43) P2RX3MAPK1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20652978 0.81 P2RX3 (0.47) P2RX3PKMNPSR1
SCHEMBL20653078 0.81 P2RX3 (0.51) P2RX3SMN1; SMN2MAPTLMNA
SCHEMBL20432229 0.81 P2RX3 (0.49) P2RX3MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18833876 0.80 P2RX3 (0.53) P2RX3SMN1; SMN2MAPTLMNA
SCHEMBL19375417 0.80 P2RX3 (0.52) P2RX3SMN1; SMN2MAPTLMNA
SCHEMBL16028092 0.79 P2RX3 (0.49) P2RX3MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18834594 0.79 P2RX3 (0.51) P2RX3SMN1; SMN2MAPTLMNA

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
WO-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO disclosed
Send feedback