SCHEMBL31206342

SCHEMBL31206342

O=C(Nc1ccc(Cl)cc1)Nc1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.69
KMT2A Q03164 9/20 0.69
NPC1 O15118 8/20 0.69
RAB9A P51151 7/20 0.69
MAPT P10636 5/20 0.69
GAA P10253 3/20 0.69
POLB P06746 2/20 0.69
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.63
GLA P06280 1/20 0.63
TP53 P04637 1/20 0.63
GRIK1 P39086 2/20 0.61
HTT P42858 1/20 0.60
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
TRPV1 Q8NER1 1/20 0.57

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
SCHEMBL1878337 1.00 MEN1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7096713 0.85 TP53 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL10712301 0.84 MEN1 (0.76) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9400389 0.83 NPC1 (0.66) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8497179 0.83 MEN1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1883373 0.83 CA12 (0.71) MEN1KMT2ANPC1POLBLMNA
SCHEMBL1877777 0.82 MEN1 (0.72) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1875397 0.82 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31206219 0.82 MEN1 (0.72) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8497569 0.81 POLB (0.66) MEN1KMT2ANPC1RAB9AMAPT

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
CN-113271941-B Urea derivatives for the treatment and/or prophylaxis of cancer 法国国家科学研究中心 2024-09-20 CN disclosed