SCHEMBL9728607

SCHEMBL9728607

O=C(NC(=S)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.71
ALDH1A1 P00352 6/20 0.69
CYP1A2 P05177 1/20 0.69
ALPL P05186 1/20 0.69
ALPI P09923 1/20 0.69
ALPG P10696 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
KDM4E B2RXH2 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 2/20 0.68
HPGD P15428 1/20 0.68
ALOX12 P18054 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.64
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
POLB P06746 2/20 0.59
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL9728720 0.87 ALDH1A1 (0.74) EPHX1ALDH1A1CYP1A2ALPLALPI
SCHEMBL14855627 0.84 POLB (0.79) KDM4EMEN1KMT2AMAPTPOLB
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.84 EPHX1 (1.00) EPHX1ALDH1A1MEN1KMT2AHPGD
SCHEMBL6118209 0.84 EPHX1 (0.78) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9728074 0.84 ALDH1A1 (0.70) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11165411 0.81 ALDH1A1 (0.71) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18550720 0.78 NPC1 (0.71) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31741297 0.78 NPC1 (0.71) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8613625 0.78 EPHX1 (0.76) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27451748 0.78 MIF (0.83) EPHX1ALDH1A1CYP2C9CYP2C19MEN1

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 1 patent. 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