SCHEMBL16403961

SCHEMBL16403961

CCCCNC(=O)c1cc(-c2csc(C)n2)cn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ CASP2 P42575 1/20 0.41
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37

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
SCHEMBL16403964 0.93 KDM4E (0.49) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL16403917 0.91 KDM4E (0.53) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL14325734 0.89 KDM4E (0.64) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL16403922 0.88 KDM4E (0.61) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL16403932 0.88 ALDH1A1 (0.45) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL16404129 0.86 KDM4E (0.47) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL14325737 0.86 RAB9A (0.63) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL14684741 0.86 ALDH1A1 (0.42) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL14224952 0.84 KDM4E (0.44) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL16404165 0.84 KDM4E (0.44) RAB9AALDH1A1NPC1KDM4ESMN1; 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-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
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