SCHEMBL31568435

SCHEMBL31568435

O=C(O)c1cccc(CSc2ccc(Cl)cc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 1.00
AR P10275 1/20 1.00
POLB P06746 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
PTPRC P08575 1/20 0.52
PTPRG P23470 1/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
RAB9A P51151 1/20 0.49
CCR2 P41597 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47

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
SCHEMBL22469767 1.00 MRGPRX4 (1.00) MRGPRX4ARPOLBGPR55PTPRC
SCHEMBL26162710 0.88 MRGPRX4 (0.78) MRGPRX4ARPOLBGPR55PTPRC
SCHEMBL22469747 0.84 MRGPRX4 (0.73) MRGPRX4ARPOLBGPR55SMN1; SMN2
SCHEMBL13452529 0.82 MRGPRX4 (0.70) MRGPRX4ARPOLBPTPRCPTPRG
SCHEMBL11820013 0.81 MRGPRX4 (0.68) MRGPRX4ARPOLBGPR55PTPRC
SCHEMBL11565647 0.78 AR (0.64) MRGPRX4ARPOLBGPR55PTPRC
SCHEMBL7785082 0.78 AR (0.64) MRGPRX4ARPOLBPTPRCPTPRG
SCHEMBL31568471 0.77 MRGPRX4 (0.63) MRGPRX4ARPOLBPTPRGSMN1; SMN2
SCHEMBL13802466 0.77 MRGPRX4 (0.63) MRGPRX4ARPOLBGPR55PTPRC
SCHEMBL7814224 0.74 AR (0.59) MRGPRX4ARPOLBPTPRCPTPRG

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
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