SCHEMBL31472166

SCHEMBL31472166

S=C1COc2cc(Br)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
BLM P54132 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
AHR P35869 3/20 0.41
CHRM1 P11229 1/20 0.39
APP P05067 5/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
NPR1 P16066 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL8195292 0.87 MMP12 (0.41) NR3C1PGRARBLMMAPT
SCHEMBL305202 0.79 MMP12 (0.51) MAPTAHRPKMMMP12NPSR1
SCHEMBL30336661 0.79 MMP12 (0.51) MAPTAHRPKMMMP12NPSR1
SCHEMBL7454908 0.79 NR3C2 (0.44) NR3C1PGRARCYP3A4
SCHEMBL4578128 0.79 MAPT (0.41) PGRBLMMAPTLMNAHTT
SCHEMBL88718 0.73 MEN1 (0.50) BLMMAPTMMP12HSP90AA1MAPK1
SCHEMBL4577576 0.72 NR3C1 (0.48) NR3C1PGRARMAPTLMNA
SCHEMBL1985922 0.70 AHR (0.58) BLMMAPTLMNAHTTAHR
SCHEMBL29689592 0.70 AHR (0.58) BLMMAPTLMNAHTTAHR
SCHEMBL17423918 0.69 BLM (0.42) NR3C1PGRARBLMMAPT

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
WO-2025026270-A1 BENZO NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-02-06 WO disclosed