SCHEMBL31472199

SCHEMBL31472199

Cc1cc(Br)cc2c1OCCC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KCNH2 Q12809 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL31394015 0.89 MAPT (0.36) MAPTNPSR1RXFP1
SCHEMBL6342164 0.89 MAPT (0.36) MAPTNPSR1RXFP1
SCHEMBL20416982 0.81 RAPGEF4 (0.35) NOTUMNPSR1CTNNB1WNT3A
SCHEMBL30783445 0.81 AHR (0.38) NOTUMMAPTNPSR1RXFP1
SCHEMBL11119325 0.78 NOTUM (0.47) NOTUMMAPTNPSR1RXFP1
SCHEMBL3889397 0.78 AKT1 (0.40) NOTUMCTNNB1WNT3A
SCHEMBL13114495 0.78 ALOX15 (0.38) NOTUMMAPTNPSR1RXFP1
SCHEMBL10093043 0.78 PARP1 (0.44) NOTUMCTNNB1WNT3A
SCHEMBL13534195 0.78 NOTUM (0.38) NOTUM
SCHEMBL30748852 0.78 PARP1 (0.33) NOTUMMAPTNPSR1RXFP1CTNNB1

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