SCHEMBL9728486

SCHEMBL9728486

Cc1ccccc1C(=O)NC(=S)NCc1ccccc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
HPGD P15428 4/20 0.57
ALOX12 P18054 4/20 0.57
POLB P06746 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 2/20 0.51
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9728502 0.85 KMT2A (0.64) ALDH1A1HPGDALOX12POLBCYP1A2
SCHEMBL9728489 0.84 ALDH1A1 (0.62) ALDH1A1ALOX12POLBCYP1A2CYP2C19
SCHEMBL9818475 0.82 LMNA (0.56) ALDH1A1HPGDALOX12POLBSMN1; SMN2
SCHEMBL5458272 0.81 ALDH1A1 (0.75) ALDH1A1HPGDALOX12POLBCYP1A2
SCHEMBL9728776 0.79 ALDH1A1 (0.67) ALDH1A1ALOX12POLBCYP1A2CYP3A4
SCHEMBL9818531 0.77 ALDH1A1 (0.77) ALDH1A1HPGDALOX12POLBSMN1; SMN2
SCHEMBL5458075 0.75 ALDH1A1 (0.67) ALDH1A1HPGDALOX12POLBSMN1; SMN2
SCHEMBL3397939 0.75 NPC1 (0.60) ALDH1A1HPGDALOX12POLBCYP1A2
SCHEMBL28984805 0.74 SETDB1 (0.49) ALDH1A1HPGDLMNAMAPTKDM4E
SCHEMBL28261835 0.74 HPGD (1.00) ALDH1A1HPGDSMN1; SMN2LMNAMAPT

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-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