SCHEMBL26407107

SCHEMBL26407107

CNc1cc(C(F)F)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL17673275 0.77 CYP1A2 (0.58) KDM4ELMNAL3MBTL1KMT2ACYP1A2
SCHEMBL4272819 0.77 SLC2A1 (0.56) HTR3AKDM1ANUDT1SLC2A1KDM4E
SCHEMBL29029744 0.75 MYC (0.46) KDM4EL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL3291837 0.75 TDP1 (0.43) KDM4ELMNAL3MBTL1HTTKMT2A
SCHEMBL1238925 0.75 CYP1A2 (0.60) HTR3ALMNAL3MBTL1MEN1HTT
SCHEMBL6462106 0.74 IGF1R (0.52) HTR3AKDM1ANUDT1KDM4EL3MBTL1
SCHEMBL16009200 0.74 HTR3A (0.51) HTR3AKDM1ANUDT1SLC2A1KDM4E
SCHEMBL29632453 0.74 MAOA (0.45) KDM4EMEN1KMT2ACYP1A2
SCHEMBL25110127 0.73 TLR7 (0.65) HTR3ATLR7NUDT1MEN1KMT2A
SCHEMBL19148204 0.71 MAOA (0.38) KDM4EL3MBTL1MEN1HTTKMT2A

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
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 — — WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 — — WO disclosed
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