SCHEMBL26388653

SCHEMBL26388653

Ic1cnn(-c2nccs2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
ALDH1A1 P00352 4/20 0.32
PPARG P37231 1/20 0.32
MAPK10 P53779 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 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
SCHEMBL30061281 0.78 ALDH1A1 (0.40) TDP1LMNAGLAALDH1A1PPARG
SCHEMBL16547534 0.78 TDO2 (0.39) TDP1LMNAMEN1GLAALDH1A1
SCHEMBL19975267 0.74 PDE10A (0.34) TDP1LMNAMEN1GLAALDH1A1
SCHEMBL16543457 0.74 TRPV1 (0.38) TDP1LMNAGLAALDH1A1PPARG
SCHEMBL24221966 0.74 GABRA1 (0.42) TDP1LMNAGLAALDH1A1PPARG
SCHEMBL23228040 0.74 ALDH1A1 (0.33) TDP1LMNAGLAALDH1A1PPARG
Hydrochloric Acid SCHEMBL19975461 0.73 GABRA1 (0.41) TDP1ALDH1A1HSD17B10TSHRNOS1
SCHEMBL3777154 0.73 EGLN1 (0.51) ALDH1A1PPARGMAPK10KMT2ANPSR1
SCHEMBL18320461 0.71 ALDH1A1 (0.39) TDP1LMNAALDH1A1PPARGMAPK10
SCHEMBL2529820 0.69 FFAR4 (0.39) LMNAMEN1ALDH1A1PPARGMAPK10

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