SCHEMBL26413302

SCHEMBL26413302

O=C(NC1CCCCC1)c1cccc(O)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.70
NPC1 O15118 5/20 0.70
L3MBTL1 Q9Y468 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 1/20 0.65
GFER P55789 1/20 0.65
HSD17B10 Q99714 1/20 0.65
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.60
HTR2B P41595 1/20 0.60
KDM1A O60341 1/20 0.59
ERN1 O75460 1/20 0.59
MLLT3 P42568 1/20 0.59
MLLT1 Q03111 1/20 0.59
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.56
GRM5 P41594 1/20 0.56

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
SCHEMBL3660554 0.95 L3MBTL1 (0.65) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL3658943 0.92 NPC1 (0.60) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL6707186 0.90 RAB9A (0.79) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL9265040 0.90 RAB9A (0.79) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL19445791 0.85 RAB9A (0.72) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL26400418 0.83 KMT2A (0.61) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL7233864 0.83 RAB9A (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL2310568 0.83 RAB9A (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL613993 0.83 RAB9A (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL21104744 0.83 RAB9A (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E

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