SCHEMBL31580980

SCHEMBL31580980

O=C(Nc1ccnc(C(=O)O)c1)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
KCNK3 O14649 3/20 0.59
KCNK9 Q9NPC2 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
FFAR1 O14842 1/20 0.59
P4HTM Q9NXG6 2/20 0.55
JAK2 O60674 2/20 0.54
TYK2 P29597 2/20 0.54
GRM4 Q14833 1/20 0.52
SCD O00767 1/20 0.51
PABPC1 P11940 1/20 0.50
CES1 P23141 2/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL23488122 0.94 KCNK3 (0.66) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL31580868 0.87 KCNK3 (0.58) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL31580464 0.87 RAB9A (0.57) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL31580871 0.85 KCNK3 (0.52) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL31580524 0.85 NR1H4 (0.64) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL14876237 0.82 KCNK3 (0.62) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL23488366 0.82 KCNK3 (0.62) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL31580805 0.81 NR1H4 (0.69) NPC1RAB9AKMT2AMEN1
SCHEMBL31580760 0.80 FABP1 (0.58) KCNK3KCNK9KMT2AMEN1FFAR1
SCHEMBL14875919 0.80 RAB9A (0.62) NPC1RAB9AKCNK3KCNK9KMT2A

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-2025104079-A1 SALICYLIC ACID AND PICOLINIC ACID DERIVATIVES AS INHIBITORS OF ENERGY COUPLING FACTOR (ECF) TRANSPORTERS FOR THE TREATMENT OF BACTERIAL INFECTIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-05-22 WO disclosed