SCHEMBL21921279

SCHEMBL21921279

BN(B)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP3A4 P08684 3/20 0.47
GPR84 Q9NQS5 3/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
AHR P35869 1/20 0.47
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MITF O75030 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
IMPDH2 P12268 2/20 0.44

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
SCHEMBL30171037 0.78 ATM (0.54) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL4212837 0.78 ATM (0.54) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL28498447 0.77 ALDH1A1 (0.47) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL10617441 0.75 MEN1 (0.58) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL15602070 0.75 ALDH1A1 (0.50) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL4982358 0.74 MEN1 (0.54) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL14921847 0.72 OPRM1 (0.55) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL4953238 0.72 ALDH1A1 (0.51) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL6321754 0.71 ALDH1A1 (0.54) ATMMEN1KMT2ACYP3A4GPR84
SCHEMBL7973209 0.71 CYP2A6 (0.50) ATMMEN1KMT2ACYP3A4GPR84

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-3353262-B1 ELECTROLYTE FOR ELECTROCHEMICAL GENERATOR COMMISSARIAT ENERGIE ATOMIQUE (FR) 2020-03-25 EP disclosed