SCHEMBL23877945

SCHEMBL23877945

Brn1cnc2ccc(-c3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
DYRK1A Q13627 1/20 0.41
ATM Q13315 4/20 0.40
MAP4K4 O95819 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
KDR P35968 2/20 0.39
BACE1 P56817 1/20 0.39
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.38
PIK3CA P42336 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37

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
SCHEMBL16291053 0.77 HTT (0.62) ATMKDRHTT
SCHEMBL10602253 0.75 CYP11B1 (0.53) CYP11B1CYP11B2DYRK1AATMF2
SCHEMBL278161 0.74 TDP1 (0.54) CYP11B1CYP11B2HTT
SCHEMBL20128445 0.73 FABP4 (0.41) BACE1HTTHCAR1
SCHEMBL20698048 0.73 PARP1 (0.34) DYRK1AHTT
SCHEMBL11988767 0.72 POLB (0.64) CYP11B1CYP11B2ATMKDRHTT
SCHEMBL17231488 0.71 DYRK1A (0.55) CYP11B1CYP11B2DYRK1AMAP4K4BRD4
SCHEMBL17691821 0.70 DYRK1A (0.57) CYP11B1CYP11B2DYRK1ABACE1BRD4
SCHEMBL31144784 0.69 HTT (0.51) ATMKDRHTT
SCHEMBL18609345 0.69 FGFR1 (0.56) ATMKDRHTT

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-3888147-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed