SCHEMBL11271207

SCHEMBL11271207

CCN(CC)CC(=O)Nc1nc2c(N)c3nc(NC(=O)CN(CC)CC)sc3cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ GAA P10253 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ SCN4A P35499 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ HTR3A P46098 1/20 0.40

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
SCHEMBL11262352 0.90 MAPT (0.49) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL11259222 0.88 NPC1 (0.49) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL11262236 0.87 MAPT (0.47) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL11269297 0.85 SMN1; SMN2 (0.47) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL11269414 0.83 KMT2A (0.50) MAPTHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL11256671 0.82 RAB9A (0.49) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11259059 0.81 MAPT (0.44) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4509401 0.81 RAB9A (0.50) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL11261115 0.78 MAPT (0.51) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL4493348 0.77 CASP2 (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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