SCHEMBL27743104

SCHEMBL27743104

O=C(O)Cc1csc(NC(=O)CNCc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
SCD O00767 7/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE5A O76074 4/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE1C Q14123 1/20 0.53
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ELOVL1 Q9BW60 1/20 0.50
MME P08473 1/20 0.49

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
SCHEMBL7454854 0.82 ROCK2 (0.62) ALDH1A1SCDPDE5AITGB1ITGA4
SCHEMBL7016372 0.81 SCD (0.61) ALDH1A1SCDMEN1KMT2AMME
SCHEMBL14026892 0.81 ELOVL1 (0.72) ALDH1A1MEN1KMT2AELOVL1
Hydrochloric Acid SCHEMBL11311385 0.81 MAPK1 (0.64) ALDH1A1SCDKDM4E
SCHEMBL7488591 0.79 KMT2A (0.53) ALDH1A1MEN1KMT2APDE5AITGB1
SCHEMBL8151940 0.78 ALDH1A1 (0.46) ALDH1A1SCDMEN1KMT2APDE5A
SCHEMBL15085702 0.78 LMNA (0.51) ALDH1A1MEN1KMT2AKDM4EELOVL1
SCHEMBL27743102 0.77 MAPK1 (0.48) ALDH1A1MEN1KMT2AKDM4EELOVL1
SCHEMBL5717756 0.76 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APDE5AITGB1
SCHEMBL4832627 0.76 ALDH1A1 (0.59) ALDH1A1SCDPDE5AITGB1ITGA4

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
CN-101445492-A Amide thiazole derivant, preparation method and use thereof TIANJIN INST PHARM RESEARCH (CN) 2009-06-03 CN claimed
CN-101445492-A Amide thiazole derivant, preparation method and use thereof TIANJIN INST PHARM RESEARCH (CN) 2009-06-03 CN disclosed