SCHEMBL11269347

SCHEMBL11269347

CCN(CC)CC(=O)Nc1nc2cc3nc(NC(=O)CN(CC)CC)sc3c(Br)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ LMNA P02545 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP3A4 P08684 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
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 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
SCHEMBL11264221 0.84 NPC1 (0.45) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11256671 0.83 RAB9A (0.49) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4509401 0.82 RAB9A (0.50) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11271738 0.82 MAPT (0.48) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11262236 0.80 MAPT (0.47) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11262589 0.79 MAPT (0.48) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4493348 0.78 CASP2 (0.55) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11259059 0.77 MAPT (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11261115 0.74 MAPT (0.51) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11264138 0.73 RAB9A (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR

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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