SCHEMBL24273142

SCHEMBL24273142

O=C(NCCc1ccc(Cl)c(Cl)c1)c1nn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.63
MCL1 Q07820 1/20 0.55
ABCB1 P08183 4/20 0.54
HTT P42858 1/20 0.53
CNR1 P21554 4/20 0.51
CNR2 P34972 1/20 0.51
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL24273500 0.91 PTGER4 (0.68) PTGER4ABCB1HTTMEN1GAA
SCHEMBL24273062 0.88 PTGER4 (0.61) PTGER4ABCB1HTTMEN1GAA
SCHEMBL24273429 0.87 PTGER4 (0.66) PTGER4ABCB1HTTMEN1GAA
SCHEMBL24273524 0.87 PTGER4 (0.60) PTGER4ABCB1HTTCNR1ALDH1A1
SCHEMBL24273134 0.86 PTGER4 (0.54) PTGER4MCL1ABCB1HTTMEN1
SCHEMBL24273597 0.86 PTGER4 (0.64) PTGER4ABCB1HTTMEN1GAA
SCHEMBL24273608 0.85 PTGER4 (0.63) PTGER4ABCB1HTTMEN1GAA
SCHEMBL24273110 0.85 ABCB1 (0.69) PTGER4ABCB1HTTMEN1GAA
SCHEMBL24273107 0.85 PTGER4 (0.58) PTGER4ABCB1HTTCNR1CNR2
SCHEMBL7553691 0.83 PTGER4 (0.69) PTGER4ABCB1HTTMEN1RAB9A

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-2022061008-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-03-24 WO disclosed