SCHEMBL26424915

SCHEMBL26424915

CC(C)(C)c1cc(N)c2cc(N)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.39
▸ ACHE P22303 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MMP1 P03956 1/20 0.36

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
SCHEMBL26425231 0.82 NT5E (0.46) MCHR1KDM4EACHEPOLBHSD17B10
SCHEMBL3235863 0.76 NCF1 (0.63) KDM4ELMNAPOLBCASP6NQO2
SCHEMBL28476846 0.75 PLAU (0.52) KDM4EACHELMNAPOLBCASP6
Hydrochloric Acid SCHEMBL30579056 0.74 NCF1 (0.61) KDM4ELMNAPOLBCASP6NQO2
SCHEMBL8234615 0.72 ADRB2 (0.55) MCHR1ACHELMNAPOLBMAPT
SCHEMBL31375796 0.72 LATS1 (0.42) KDM4EACHELMNAPOLBHTT
SCHEMBL6616835 0.71 MCHR1 (0.44) MCHR1KDM4EACHELMNAPOLB
SCHEMBL1551266 0.71 TLR9 (0.42) KDM4EACHELMNAPOLBCASP6
SCHEMBL5349212 0.71 ACHE (0.51) KDM4EACHELMNAHSD17B10ALDH1A1
SCHEMBL24506782 0.70 HSD17B10 (0.35) MCHR1KDM4EHSD17B10EGFR

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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