SCHEMBL9728550

SCHEMBL9728550

NC(=O)c1cc2ccccc2cc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
EPHX1 P07099 3/20 0.55
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 4/20 0.53
ALOX12 P18054 2/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
BLM P54132 1/20 0.51
PLK1 P53350 1/20 0.51

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
SCHEMBL9728074 0.83 ALDH1A1 (0.70) KDM4EEPHX1ALDH1A1MEN1KMT2A
SCHEMBL9728446 0.82 EPHX1 (0.63) KDM4EEPHX1ALDH1A1MEN1KMT2A
SCHEMBL9728096 0.82 EPHX1 (0.66) KDM4EEPHX1ALDH1A1MEN1KMT2A
SCHEMBL6118209 0.77 EPHX1 (0.78) KDM4EEPHX1ALDH1A1MEN1KMT2A
SCHEMBL5713502 0.74 NPC1 (0.72) KDM4EEPHX1ALDH1A1MAPTALOX12
SCHEMBL14162005 0.74 MEN1 (0.74) KDM4EEPHX1ALDH1A1MEN1KMT2A
SCHEMBL8612483 0.74 EPHX1 (0.77) KDM4EEPHX1ALDH1A1MEN1KMT2A
SCHEMBL11157014 0.74 EPHX1 (0.56) KDM4EEPHX1ALDH1A1MEN1KMT2A
SCHEMBL9728569 0.73 ALDH1A1 (0.74) KDM4EEPHX1ALDH1A1MEN1KMT2A
SCHEMBL18343780 0.73 EPHX1 (0.62) KDM4EEPHX1ALDH1A1MEN1KMT2A

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