SCHEMBL21246580

SCHEMBL21246580

CCOc1ccc(SNc2cc(C(=O)NCc3cccnc3)ccc2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.68
MAPK1 P28482 1/20 0.68
TSHR P16473 2/20 0.57
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.53
MMP13 P45452 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL21246582 0.91 GAA (0.67) LMNAMAPK1TSHRRECQLGAA
SCHEMBL21246583 0.89 LMNA (0.58) LMNAMAPK1TSHRRECQLMMP13
SCHEMBL21246562 0.89 LMNA (0.63) LMNATSHRRECQLGAAMMP13
SCHEMBL21246587 0.87 TRPV1 (0.58) LMNAMAPK1TSHRRECQLGAA
SCHEMBL21246577 0.87 LMNA (0.53) LMNAMAPK1TSHRRECQLGAA
SCHEMBL21246570 0.87 KMT2A (0.53) LMNATSHRRECQLSMN1; SMN2CYP1A2
SCHEMBL21246634 0.87 LMNA (0.53) LMNATSHRRECQLGAAMMP13
SCHEMBL21246553 0.87 ALDH1A1 (0.59) LMNAMAPK1TSHRRECQLGAA
SCHEMBL21246584 0.86 LMNA (0.52) LMNAMAPK1TSHRRECQLGAA
SCHEMBL21246586 0.85 LMNA (0.55) LMNATSHRRECQLMMP13SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3747866-A1 BENZAMIDE COMPOUND AND PREPARATION METHOD, USE, AND PHARMACEUTICAL COMPOSITION THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2020-12-09 EP disclosed
WO-2019149223-A1 BENZAMIDE COMPOUND AND PREPARATION METHOD, USE, AND PHARMACEUTICAL COMPOSITION THEREOF 中国医学科学院药物研究所 2019-08-08 WO disclosed