SCHEMBL30105045

SCHEMBL30105045

O=C(Nc1ccnc(Cl)c1)Nc1cc(F)ccc1CO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.56
SMARCA4 P51532 8/20 0.56
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
GRM5 P41594 2/20 0.43
AR P10275 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
S1PR2 O95136 1/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL23831709 1.00 SMARCA2 (0.56) SMARCA2SMARCA4HTTRAB9ATRPV1
SCHEMBL23831856 0.91 SMARCA2 (0.53) SMARCA2SMARCA4HTTRAB9ATRPV1
SCHEMBL30104987 0.88 SMARCA2 (0.58) SMARCA2SMARCA4TRPV1MALT1KMT2A
SCHEMBL23831732 0.88 SMARCA2 (0.58) SMARCA2SMARCA4TRPV1MALT1KMT2A
SCHEMBL30105228 0.88 HTT (0.48) HTTRAB9ATRPV1GRM5KMT2A
SCHEMBL23831586 0.88 HTT (0.48) HTTRAB9ATRPV1GRM5KMT2A
SCHEMBL30104971 0.86 S1PR2 (0.55) HTTRAB9ATRPV1KMT2ANPC1
SCHEMBL23831930 0.85 HTT (0.46) HTTRAB9ATRPV1ARKMT2A
SCHEMBL30105089 0.85 SMARCA2 (0.56) SMARCA2SMARCA4HTTRAB9ATRPV1
SCHEMBL27077601 0.85 SMARCA2 (0.56) SMARCA2SMARCA4HTTRAB9ATRPV1

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