SCHEMBL24273192

SCHEMBL24273192

O=C(NCCc1ccccn1)c1cn(CCc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CNR1 P21554 2/20 0.53
▸ CNR2 P34972 2/20 0.53
▸ POLB P06746 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HAT1 O14929 2/20 0.48
▸ EP300 Q09472 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ FPR3 P25089 1/20 0.47
▸ SLC22A12 Q96S37 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ PTPN7 P35236 1/20 0.45

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
SCHEMBL24273327 0.92 KDM4E (0.56) KDM4EHPGDCNR1CNR2POLB
SCHEMBL24273244 0.85 SLC22A12 (0.59) KDM4EHPGDCNR1CNR2HDAC1
SCHEMBL24273345 0.83 SLC22A12 (0.52) KDM4EHPGDCNR1CNR2POLB
SCHEMBL24273317 0.82 TUBB4A (0.53) KDM4EHPGDCNR1CNR2POLB
SCHEMBL24273071 0.81 LMNA (0.56) KDM4EHPGDCNR1CNR2POLB
SCHEMBL5441848 0.80 HDAC1 (0.59) KDM4EHPGDCNR1CNR2HDAC1
SCHEMBL24273556 0.80 TUBB4A (0.63) KDM4ECNR1CNR2HDAC1HDAC6
SCHEMBL24273554 0.79 SMN1; SMN2 (0.62) KDM4EHPGDCNR1CNR2POLB
SCHEMBL24273587 0.78 KLKB1 (0.49) KDM4ECNR2POLBHDAC1HDAC6
SCHEMBL24273387 0.76 POLB (0.61) KDM4EPOLBHDAC1HAT1EP300

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
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