SCHEMBL31362977

SCHEMBL31362977

COC(=O)N(Cc1ccc(C)cc1C)NC(=O)c1c(Oc2cccc(Br)c2)cnn1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ATM Q13315 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MAPT P10636 5/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30
RECQL P46063 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL31362973 0.90 MAPT (0.35) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL31163277 0.84 LMNA (0.37) LMNASMN1; SMN2CYP2C9CYP2C19NPSR1
SCHEMBL31163187 0.83 LMNA (0.39) LMNASMN1; SMN2NPSR1ATMPPARG
SCHEMBL32671441 0.81 RAB9A (0.37) LMNASMN1; SMN2ATMPPARGPPARD
SCHEMBL31362978 0.79 ALDH1A1 (0.32) LMNACYP1A2PPARGPPARDPPARA
SCHEMBL31163174 0.76 CAMK2A (0.36) LMNASMN1; SMN2CYP2C19NPSR1CYP2D6
SCHEMBL31362974 0.76 CYP1A2 (0.34) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL31163172 0.76 CYP1A2 (0.46) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL31405514 0.76 CYP1A2 (0.46) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL31163190 0.73 LMNA (0.47) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19

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-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed