SCHEMBL30896294

SCHEMBL30896294

NC(=O)c1cccc(CBr)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.59
PARP1 P09874 7/20 0.57
FOLH1 Q04609 1/20 0.48
IDH1 O75874 1/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL2108942 1.00 MEP1B (0.59) MEP1BPARP1FOLH1IDH1TSHR
SCHEMBL4944580 0.89 PARP1 (0.50) MEP1BPARP1
SCHEMBL5645749 0.85 PARP1 (0.53) MEP1BPARP1FOLH1IDH1TSHR
SCHEMBL29572523 0.83 ATM (0.52) MEP1BFOLH1TSHRTDP1L3MBTL1
SCHEMBL185962 0.83 ATM (0.52) MEP1BFOLH1TSHRTDP1L3MBTL1
SCHEMBL2062793 0.83 CES2 (0.48) MEP1BFOLH1TSHRCES2CES1
SCHEMBL17672270 0.83 PLA2G2A (0.59) MEP1BPARP1FOLH1IDH1TSHR
SCHEMBL2822360 0.82 PARP1 (0.50) MEP1BPARP1FOLH1IDH1KDM1A
SCHEMBL8173564 0.82 MEP1B (0.66) MEP1BPARP1IDH1
SCHEMBL509423 0.82 LOXL2 (0.66) MEP1BPARP1FOLH1IDH1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113939288-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-04-25 CN disclosed
CN-118613257-A Tetrahydropyrazolopyrimidines and related analogs for the inhibition of YAP/TAZ-TEAD 鲁汶大学 2024-09-06 CN disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed