SCHEMBL16403964

SCHEMBL16403964

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ RAB9A P51151 10/20 0.47
▸ NPC1 O15118 8/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ CASP3 P42574 1/20 0.43
▸ CASP2 P42575 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ BLM P54132 1/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39

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
SCHEMBL16403961 0.93 RAB9A (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14684741 0.92 ALDH1A1 (0.42) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403922 0.91 KDM4E (0.61) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403932 0.90 ALDH1A1 (0.45) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16404129 0.88 KDM4E (0.47) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14325737 0.88 RAB9A (0.63) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403917 0.88 KDM4E (0.53) 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

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
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