SCHEMBL26416201

SCHEMBL26416201

CCn1nc2c(c1C(=O)NC)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 3/20 0.40
TSHR P16473 4/20 0.37
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 3/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
POLQ O75417 2/20 0.33

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
SCHEMBL9955982 0.81 POLB (0.50) MAPTPOLBTDP1L3MBTL1GAA
SCHEMBL21836678 0.81 POLB (0.50) MAPTPOLBTDP1L3MBTL1GAA
SCHEMBL26690358 0.79 POLB (0.60) MAPTPOLBTDP1L3MBTL1GAA
SCHEMBL21836697 0.77 MAPT (0.46) MAPTPOLBTDP1L3MBTL1GAA
SCHEMBL26690229 0.74 MAPT (0.43) MAPTPOLBTDP1L3MBTL1GAA
SCHEMBL21836694 0.73 MAPT (0.42) MAPTPOLBTDP1L3MBTL1GAA
SCHEMBL22344794 0.70 POLB (0.40) MAPTPOLBTDP1L3MBTL1MEN1
SCHEMBL21836690 0.70 KDM4E (0.49) MAPTPOLBTDP1L3MBTL1GAA
SCHEMBL12073694 0.69 POLQ (0.42) MAPTPOLBTDP1L3MBTL1GAA
SCHEMBL19997308 0.68 POLB (0.68) MAPTPOLBTDP1L3MBTL1GAA

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