SCHEMBL16403922

SCHEMBL16403922

Cc1nc(-c2cc(C(=O)NCCO)n(C)c2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ RAB9A P51151 9/20 0.47
▸ NPC1 O15118 8/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CASP3 P42574 1/20 0.43
▸ CASP2 P42575 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HIF1A Q16665 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ STAT1 P42224 2/20 0.38

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
SCHEMBL16403917 0.93 KDM4E (0.53) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403964 0.91 KDM4E (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14325737 0.88 RAB9A (0.63) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403961 0.88 RAB9A (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16404129 0.88 KDM4E (0.47) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403932 0.88 ALDH1A1 (0.45) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14325734 0.86 KDM4E (0.64) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14224952 0.86 KDM4E (0.44) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16404165 0.86 KDM4E (0.44) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403915 0.84 KDM4E (0.42) KDM4EALDH1A1RAB9ANPC1SMN1; 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 2 patents. 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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
Send feedback