SCHEMBL30105115

SCHEMBL30105115

O=C(Nc1ccnc(Cl)c1)Nc1cccc(Cl)c1CCO

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.54
SMARCA2 P51531 9/20 0.54
SMARCA4 P51532 8/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
KDR P35968 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ANO1 Q5XXA6 1/20 0.43

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
SCHEMBL23831693 1.00 TRPV1 (0.54) TRPV1SMARCA2SMARCA4MEN1KMT2A
SCHEMBL23831595 0.90 SMARCA2 (0.57) TRPV1SMARCA2SMARCA4MEN1KMT2A
SCHEMBL30105047 0.90 SMARCA2 (0.57) TRPV1SMARCA2SMARCA4MEN1KMT2A
SCHEMBL30105144 0.88 TRPV1 (0.53) TRPV1SMARCA2SMARCA4MEN1KMT2A
SCHEMBL23831692 0.88 TRPV1 (0.55) TRPV1SMARCA2SMARCA4MEN1KMT2A
SCHEMBL30105066 0.88 TRPV1 (0.55) TRPV1SMARCA2SMARCA4MEN1KMT2A
SCHEMBL23831631 0.88 TRPV1 (0.53) TRPV1SMARCA2SMARCA4MEN1KMT2A
SCHEMBL23831660 0.86 TRPV1 (0.55) TRPV1MEN1KMT2APOLBNPC1
SCHEMBL23831611 0.86 SMARCA2 (0.54) TRPV1SMARCA2SMARCA4MEN1KMT2A
SCHEMBL30105289 0.86 SMARCA2 (0.54) TRPV1SMARCA2SMARCA4MEN1KMT2A

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