SCHEMBL30105077

SCHEMBL30105077

CSc1cccc(NC(=O)Nc2cccc(Cl)c2CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 5/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TRPV1 Q8NER1 4/20 0.56
KDM4E B2RXH2 1/20 0.56
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
LMNA P02545 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
SCHEMBL23831577 1.00 MEN1 (0.58) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL23831806 0.91 MEN1 (0.61) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL30104927 0.91 MEN1 (0.61) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL23832007 0.89 MEN1 (0.59) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL30105261 0.89 MEN1 (0.59) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL23831782 0.86 TRPV1 (0.57) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL30104979 0.84 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL23831916 0.84 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL23831708 0.82 TRPV1 (0.59) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL23832019 0.82 TRPV1 (0.56) MEN1KMT2AMAPTPOLBSMN1; SMN2

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
EP-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed