SCHEMBL31190885

SCHEMBL31190885

CCc1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(C(=O)O)c(F)cn12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
MAPK10 P53779 1/20 0.37
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
EIF4E P06730 1/20 0.34
CTSA P10619 1/20 0.34

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
SCHEMBL31190909 0.90 ALDH1A1 (0.39) DHODHMAPK10RAB9ANPC1KDM4E
SCHEMBL31190910 0.90 MAPK10 (0.45) DHODHMAPK10RAB9ANPC1GABRA1
SCHEMBL31190916 0.81 NPC1 (0.43) MAPK10RAB9ANPC1
SCHEMBL31190932 0.76 ALDH1A1 (0.38) DHODHMAPK10RAB9ANPC1KDM4E
SCHEMBL31190884 0.74 MAPK10 (0.56) MAPK10RAB9ANPC1
SCHEMBL31190903 0.74 ALDH1A1 (0.36) DHODHMAPK10RAB9ANPC1KDM4E
SCHEMBL31191052 0.68 DPP4 (0.34) MAPK10RAB9ANPC1KDM4E
SCHEMBL15988249 0.68 RAB9A (0.47) RAB9ANPC1GABRA1GABRB2KDM4E
SCHEMBL6702122 0.67 MYC (0.58) RAB9ANPC1POLBKDM4EEIF4E
SCHEMBL31190901 0.67 ALPL (0.41) DHODHMAPK10RAB9ANPC1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220543-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 WO disclosed