SCHEMBL22901136

SCHEMBL22901136

N=c1cc2oc3cc(NC=O)ccc3nc-2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPT P10636 5/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL10327418 0.82 CASP3 (0.57) MEN1KMT2ANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL125553 0.81 CASP3 (0.56) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL826022 0.78 KMT2A (0.45) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14347198 0.73 RAB9A (0.62) MEN1KMT2ANPC1RAB9APOLB
Acetic Acid SCHEMBL313911 0.73 KMT2A (0.45) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL26952117 0.72 CASP3 (0.64) MEN1KMT2ANPC1RAB9APOLB
Nile Blue SCHEMBL12393690 0.72 MEN1 (0.77) MEN1KMT2ANPC1RAB9APOLB
Nile Blue SCHEMBL29356294 0.72 MEN1 (0.77) MEN1KMT2ANPC1RAB9APOLB
Perchlorate SCHEMBL29361888 0.72 KMT2A (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL18709101 0.71 POLB (0.65) MEN1KMT2ANPC1RAB9APOLB

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
US-20210018497-A1 BRET SENSOR MOLECULES FOR DETECTING HYDROLASES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2021-01-21 US disclosed