SCHEMBL16705383

SCHEMBL16705383

Cn1ncc(I)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MPO P05164 1/20 0.33
TRPA1 O75762 1/20 0.31

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
SCHEMBL12733944 0.82 CYP11B2 (0.32) CYP11B2
SCHEMBL9607538 0.77 CYP11B2 (0.42) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL24483790 0.76 CYP11B2 (0.45) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL12121231 0.76 CYP11B2 (0.45) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL21719113 0.75 TRPA1 (0.32) MEN1KMT2ATRPA1
SCHEMBL21863433 0.74 CYP11B2 (0.44) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL21503625 0.74 CYP11B2 (0.44) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL15608616 0.74 CYP11B2 (0.44) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL24977549 0.74 MPO (0.38) CYP11B2CYP1A2MPO
Hydrochloric Acid SCHEMBL18283885 0.72 CYP11B2 (0.42) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19

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 4 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
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-2549875-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed