SCHEMBL20041121

SCHEMBL20041121

Cc1nc2ccc(P)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.61
▸ NPC1 O15118 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ GAA P10253 1/20 0.53
▸ HTT P42858 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LDHA P00338 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL8470440 0.80 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL84327 0.79 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL30542465 0.79 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL378504 0.76 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2615304 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31036744 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1218824 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL906835 0.76 HTT (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2615303 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1878015 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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-2882439-B1 APOPTOSIS-INDUCING AGENTS ABBVIE INC (US) 2018-04-11 — — EP disclosed
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