SCHEMBL26617029

SCHEMBL26617029

C=Cc1cc(-c2cc(CCN3C(=O)c4ccccc4C3=O)on2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 3/20 0.46
RECQL P46063 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.41
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL25393302 0.84 MAPT (0.57) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL25397269 0.81 MAPT (0.53) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL25393182 0.81 MAPT (0.53) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL15603526 0.80 MAPT (0.80) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL1456599 0.76 MAPT (0.64) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL29929233 0.76 MAPT (0.64) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL28962152 0.76 MAPT (0.64) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL30613396 0.75 MAPT (0.36) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL26719196 0.75 MAPT (0.36) MAPTSMN1; SMN2HTTRECQLCYP1A2
SCHEMBL30613397 0.72 MAPT (0.65) MAPTSMN1; SMN2HTTRECQLCYP1A2

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