SCHEMBL30105041

SCHEMBL30105041

O=C(Nc1ccnc(F)c1)Nc1cccc(Cl)c1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
KDR P35968 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
LMNA P02545 4/20 0.43
SMARCA2 P51531 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
SMARCA4 P51532 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGER3 P43115 2/20 0.42

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
SCHEMBL23831636 1.00 MEN1 (0.48) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL30105066 0.91 TRPV1 (0.55) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL23831692 0.91 TRPV1 (0.55) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL30105076 0.88 CA12 (0.43) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL23831850 0.88 CA12 (0.43) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL30105047 0.88 SMARCA2 (0.57) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL23831595 0.88 SMARCA2 (0.57) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL23831733 0.86 KDR (0.47) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL23831824 0.86 RAB9A (0.42) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL23831944 0.86 MEN1 (0.45) MEN1KMT2ARAB9APOLBNPC1

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