SCHEMBL13638870

SCHEMBL13638870

Cc1[nH]c(S)c(C)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 2/20 0.32
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
HPGD P15428 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NR4A2 P43354 1/20 0.30

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
SCHEMBL28177075 0.79 POLB (0.42) POLBCYP1A2CYP3A4NPSR1HSD17B10
SCHEMBL18656646 0.72 ALDH1A1 (0.39) POLBCYP1A2CYP3A4NPSR1HSD17B10
SCHEMBL1004648 0.67 POLB (0.55) POLBNPSR1HSD17B10HPGDALDH1A1
SCHEMBL16781055 0.67 POLB (0.55) POLBNPSR1HSD17B10HPGDALDH1A1
SCHEMBL29812111 0.65 POLB (0.38) POLBCYP1A2CYP3A4HSD17B10BRD4
SCHEMBL6699250 0.65 NPC1 (0.43) POLBCYP1A2CYP3A4NPSR1HPGD
SCHEMBL1003996 0.65 POLB (0.52) POLBNPSR1HSD17B10HPGDALDH1A1
Hydrochloric Acid SCHEMBL29030889 0.65 POLB (0.52) POLBNPSR1HSD17B10HPGDALDH1A1
SCHEMBL2221293 0.65 POLB (0.52) POLBNPSR1HSD17B10HPGDALDH1A1
SCHEMBL17397805 0.64 PDE4D (0.40) POLBMEN1KMT2ALMNA

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed