SCHEMBL7846212

SCHEMBL7846212

CN(C)c1ccc(CNC(=O)Nc2nccs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.55
HDAC1 Q13547 5/20 0.52
HDAC2 Q92769 5/20 0.52
HDAC10 Q969S8 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
NAMPT P43490 3/20 0.51
TRPV1 Q8NER1 1/20 0.50
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL17199017 0.85 KDM4E (0.80) KDM4EPOLBSMN1; SMN2MAPTMEN1
SCHEMBL17186325 0.83 KDM4E (0.60) KDM4EPOLBSMN1; SMN2MAPTNAMPT
SCHEMBL3510455 0.82 KDM4E (0.79) KDM4EPOLBSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL17186457 0.82 KDM4E (0.59) KDM4EPOLBSMN1; SMN2MAPTNAMPT
Hydrochloric Acid SCHEMBL18605769 0.81 KDM4E (0.77) KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL6279160 0.76 CDK2 (0.53) SMN1; SMN2HDAC1HDAC2HDAC10HDAC8
SCHEMBL3430425 0.74 SMN1; SMN2 (0.77) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3656623 0.73 ROCK2 (0.62) KDM4ESMN1; SMN2MAPTNAMPTMEN1
Hydrochloric Acid SCHEMBL17186179 0.73 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17186221 0.70 SMN1; SMN2 (0.61) KDM4EPOLBSMN1; SMN2MAPTMEN1

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
EP-1124811-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026203-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO disclosed