SCHEMBL21246570

SCHEMBL21246570

Cc1ccc(C(=O)NCc2cccnc2)cc1NSc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GLA P06280 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RECQL P46063 1/20 0.51
KCNJ1 P48048 1/20 0.51
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
BLM P54132 1/20 0.50
NAMPT P43490 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
SCHEMBL21246562 0.92 LMNA (0.63) KMT2ALMNAHTTSMN1; SMN2GLA
SCHEMBL21246586 0.90 LMNA (0.55) LMNAHTTSMN1; SMN2GLAPOLB
SCHEMBL21246583 0.90 LMNA (0.58) KMT2ALMNAHTTSMN1; SMN2GLA
SCHEMBL21246634 0.90 LMNA (0.53) LMNAHTTSMN1; SMN2GLAPOLB
SCHEMBL21246553 0.90 ALDH1A1 (0.59) LMNAHTTSMN1; SMN2GLAPOLB
SCHEMBL21246582 0.89 GAA (0.67) KMT2ALMNASMN1; SMN2GLAPOLB
SCHEMBL21246587 0.89 TRPV1 (0.58) KMT2ALMNAHTTSMN1; SMN2GLA
SCHEMBL21246577 0.88 LMNA (0.53) LMNAHTTSMN1; SMN2GLAPOLB
SCHEMBL21246585 0.88 DDR1 (0.57) KMT2ALMNAHTTSMN1; SMN2GLA
SCHEMBL21246584 0.87 LMNA (0.52) LMNAHTTSMN1; SMN2GLAPOLB

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