SCHEMBL30973541

SCHEMBL30973541

CCC1Cc2occc2C(=O)C1(Br)Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.34
HTR2A P28223 2/20 0.31
DRD2 P14416 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL30973558 0.80 HTR2C (0.34) HTR2CHTR2ADRD2KDM4EPOLB
SCHEMBL30973587 0.68 HTR2C (0.52) HTR2CHTR2ADRD2KDM4EPOLB
SCHEMBL13677130 0.66 ACHE (0.46) HTR2CKDM4EPOLBTSHRALOX12
SCHEMBL22905751 0.61 HTR2C (0.43) HTR2CHTR2ADRD2KDM4EPOLB
SCHEMBL6101336 0.60 HSD17B10 (0.49) HTR2CHTR2ADRD2KDM4EPOLB
SCHEMBL14430353 0.60 HSD17B10 (0.36) KDM4EPOLBTSHRALOX12HSD17B10
SCHEMBL22905577 0.58 HTR2C (0.40) HTR2CHTR2ADRD2KDM4EPOLB
SCHEMBL20721152 0.58 MAPT (0.37) KDM4EPOLBTSHRALOX12HSD17B10
SCHEMBL6101887 0.57 HSD17B10 (0.53) HTR2CHTR2ADRD2KDM4EPOLB
SCHEMBL9623158 0.55 TDP1 (0.51) KDM4EPOLBALOX12HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed