SCHEMBL31581146

SCHEMBL31581146

CC1(C)OC(=O)c2cc(OCc3cnc(-c4cc(N)cc(F)c4)nc3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 16/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAOA P21397 4/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL31581197 0.81 MAOB (0.36) MAOBHSD17B10MAOAGRM5ACHE
SCHEMBL2494139 0.74 MAOB (0.57) MAOBMEN1NPC1RAB9AKMT2A
SCHEMBL31580938 0.70 MAOB (0.61) MAOBMAOA
SCHEMBL31581140 0.69 BRD4 (0.39) MAOBMEN1KMT2AHSD17B10ACHE
SCHEMBL2762199 0.67 MEN1 (0.47) MEN1NPC1CYP2C9CYP2C19RAB9A
SCHEMBL2761859 0.66 MAOB (0.67) MAOBNPC1RAB9ASMN1; SMN2MAOA
SCHEMBL31217566 0.65 PPIB (0.54) MEN1NPC1CYP2C19RAB9AKMT2A
SCHEMBL730039 0.65 KMT2A (0.42) MEN1NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2761641 0.62 MAOA (0.56) MAOBHSD17B10MAOA
SCHEMBL2761768 0.62 TLK2 (0.41) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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
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