SCHEMBL9728502

SCHEMBL9728502

Cc1ccc(C(=O)NC(=S)NCc2ccccc2C(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
POLB P06746 2/20 0.64
ALDH1A1 P00352 11/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP3A4 P08684 1/20 0.56
CCR6 P51684 1/20 0.51
ALOX12 P18054 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MITF O75030 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL9728489 0.90 ALDH1A1 (0.62) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL9818475 0.87 LMNA (0.56) KMT2AMEN1POLBALDH1A1ALOX12
SCHEMBL9728776 0.87 ALDH1A1 (0.67) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL9728486 0.85 ALDH1A1 (0.57) KMT2APOLBALDH1A1CYP1A2CYP3A4
SCHEMBL9939749 0.79 ALDH1A1 (0.72) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL9728569 0.78 ALDH1A1 (0.74) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL12069261 0.77 MEN1 (0.86) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL12069951 0.76 MEN1 (0.89) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL12460088 0.74 NAMPT (0.50) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL14860134 0.73 ALDH1A1 (0.59) KMT2AMEN1POLBALDH1A1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001157-A Substituted N-[[2-(aminocarbonyl)phenylamino]thioxomethyl]benzamides AMERICAN CYANAMID COMPANY (US) 1991-03-19 US claimed
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed
US-5001157-A Substituted N-[[2-(aminocarbonyl)phenylamino]thioxomethyl]benzamides AMERICAN CYANAMID COMPANY (US) 1991-03-19 US disclosed