SCHEMBL8543803

SCHEMBL8543803

NC(C(=O)c1cccc(NC2=NCCCS2)c1)=C(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
MCL1 Q07820 2/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.44
LMNA P02545 6/20 0.43
RECQL P46063 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 2/20 0.39
BLM P54132 1/20 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
SCHEMBL8537884 0.91 SMN1; SMN2 (0.50) MAPTKMT2ARAB9AHPGDMCL1
SCHEMBL23455576 0.81 KMT2A (0.54) MAPTKMT2ARAB9AHPGDMCL1
SCHEMBL30073941 0.81 KMT2A (0.54) MAPTKMT2ARAB9AHPGDMCL1
SCHEMBL8541012 0.79 ITGB3 (0.55)
SCHEMBL9058448 0.73 POLB (0.79) MAPTKMT2ARAB9AHPGDMCL1
SCHEMBL8543801 0.71 MAPT (0.45) MAPTKMT2ARAB9AHPGDMCL1
Hydrochloric Acid SCHEMBL8934656 0.69 HPGD (0.60) KMT2ARAB9AHPGDNPC1POLB
SCHEMBL7495239 0.69 ITGB3 (0.67) MAPTKMT2ARAB9AHPGDMCL1
SCHEMBL7495242 0.69 ITGB3 (0.67) MAPTKMT2ARAB9AHPGDMCL1
SCHEMBL23455358 0.69 SMN1; SMN2 (0.55) MAPTKMT2ARAB9AHPGDMCL1

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed