SCHEMBL29569233

SCHEMBL29569233

Cn1ncc2cc(CNC(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.55
CACNA1G O43497 1/20 0.55
CACNA1I Q9P0X4 1/20 0.55
TRPV1 Q8NER1 1/20 0.50
SMO Q99835 8/20 0.49
ELANE P08246 1/20 0.48
CCNC P24863 1/20 0.48
HTR2A P28223 1/20 0.48
CDK8 P49336 1/20 0.48
PASK Q96RG2 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
VNN1 O95497 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL30006606 0.89 CACNA1H (0.55) CACNA1HCACNA1GCACNA1ITRPV1SMO
SCHEMBL29269258 0.82 CACNA1H (0.50) CACNA1HCACNA1GCACNA1ITRPV1SMO
SCHEMBL29430357 0.81 KDM4E (0.55) CACNA1HCACNA1GCACNA1ICCNCHTR2A
SCHEMBL17316492 0.81 KDM4E (0.55) CACNA1HCACNA1GCACNA1ICCNCHTR2A
SCHEMBL15491152 0.80 CTNNB1 (0.51) CACNA1HCACNA1GCACNA1ITRPV1CCNC
SCHEMBL27470157 0.79 CACNA1H (0.47) CACNA1HCACNA1GCACNA1ITRPV1SMO
SCHEMBL22311425 0.77 CACNA1H (0.58) CACNA1HCACNA1GCACNA1ICCNCHTR2A
SCHEMBL29491495 0.77 CTNNB1 (0.54) CACNA1HCACNA1GCACNA1ICCNCHTR2A
SCHEMBL1665815 0.77 CTNNB1 (0.54) CACNA1HCACNA1GCACNA1ICCNCHTR2A
SCHEMBL23928858 0.77 CHRNA7 (0.64) TRPV1KDM4EALDH1A1THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed