SCHEMBL21246587

SCHEMBL21246587

CCCc1ccc(SNc2cc(C(=O)NCc3cccnc3)ccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.58
LMNA P02545 4/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RECQL P46063 1/20 0.52
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNJ1 P48048 1/20 0.49
TSHR P16473 3/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
BLM P54132 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL21246583 0.92 LMNA (0.58) TRPV1LMNAGLAPOLBHPGD
SCHEMBL21246562 0.90 LMNA (0.63) LMNAGLAPOLBHPGDSMN1; SMN2
SCHEMBL21246570 0.89 KMT2A (0.53) LMNAGLAPOLBHPGDSMN1; SMN2
SCHEMBL21246634 0.89 LMNA (0.53) LMNAGLAPOLBHPGDSMN1; SMN2
SCHEMBL21246553 0.88 ALDH1A1 (0.59) LMNAGLAPOLBHPGDSMN1; SMN2
SCHEMBL21246580 0.87 LMNA (0.68) LMNAGLAPOLBHPGDSMN1; SMN2
SCHEMBL21246586 0.87 LMNA (0.55) LMNAGLAPOLBHPGDSMN1; SMN2
SCHEMBL21246582 0.87 GAA (0.67) LMNAGLAPOLBHPGDSMN1; SMN2
SCHEMBL21246577 0.87 LMNA (0.53) LMNAGLAPOLBHPGDSMN1; SMN2
SCHEMBL21246585 0.86 DDR1 (0.57) LMNAGLAPOLBHPGDSMN1; 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