SCHEMBL11259059

SCHEMBL11259059

CCN(CC)CC(=O)Nc1nc2cc3nc(N)sc3cc2s1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ RAB9A P51151 11/20 0.44
▸ SMN1; SMN2 Q16637 10/20 0.44
▸ NPC1 O15118 9/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CLK1 P49759 1/20 0.42
▸ TP53 P04637 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACP1 P24666 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CASP2 P42575 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
SCHEMBL11256671 0.92 RAB9A (0.49) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11264975 0.91 ALDH1A1 (0.44) MAPTEPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL4509401 0.88 RAB9A (0.50) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4493348 0.86 CASP2 (0.55) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11264138 0.82 RAB9A (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL11271207 0.81 MAPT (0.44) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
Hydrochloric Acid SCHEMBL11255071 0.81 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL11257864 0.81 CASP2 (0.56) EPHX2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11255668 0.81 RAB9A (0.42) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4505353 0.80 KDM4E (0.56) MAPTSMN1; SMN2ALDH1A1CLK1TSHR

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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