SCHEMBL30613397

SCHEMBL30613397

O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccnc(C(F)(F)F)c2)no1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RECQL P46063 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
HTT P42858 1/20 0.56
CA12 O43570 7/20 0.43
CA9 Q16790 7/20 0.43
CYP2C9 P11712 1/20 0.39
KCNQ2 O43526 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL26617069 1.00 MAPT (0.65) MAPTSMN1; SMN2RECQLCYP1A2CYP3A4
SCHEMBL25397269 0.91 MAPT (0.53) MAPTSMN1; SMN2RECQLCYP1A2CYP3A4
SCHEMBL23860530 0.77 TRPV3 (0.38) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL23860366 0.77 TRPV3 (0.38) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL23860365 0.77 TRPV3 (0.38) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL26617043 0.76 NOTUM (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL25393302 0.75 MAPT (0.57) MAPTSMN1; SMN2RECQLCYP1A2CYP3A4
SCHEMBL25392646 0.73 IDO1 (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL25393182 0.72 MAPT (0.53) MAPTSMN1; SMN2RECQLCYP1A2CYP3A4
SCHEMBL26617029 0.72 MAPT (0.53) MAPTSMN1; SMN2RECQLCYP1A2CYP3A4

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-2023211850-A1 KCNT1 INHIBITORS COMPRISING AN ISOXAZOLE OR OXADIAZOLE CORE AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2023-11-02 WO disclosed