SCHEMBL21246549

SCHEMBL21246549

Cc1ccc(SNc2cc(F)cc(C(=O)NCc3cccnc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 2/20 0.58
GLA P06280 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MMP13 P45452 1/20 0.54
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KCNJ1 P48048 1/20 0.51
TSHR P16473 2/20 0.50
HTT P42858 3/20 0.49
NAMPT P43490 1/20 0.49
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL21246550 0.91 LMNA (0.61) LMNAHPGDPOLBGLASMN1; SMN2
SCHEMBL21246551 0.88 HPGD (0.58) LMNAHPGDPOLBGLASMN1; SMN2
SCHEMBL21246540 0.87 LMNA (0.61) LMNAHPGDPOLBGLASMN1; SMN2
SCHEMBL21246631 0.87 GAA (0.58) LMNAHPGDPOLBGLASMN1; SMN2
SCHEMBL22754565 0.82 LMNA (0.61) LMNAHPGDPOLBGLASMN1; SMN2
SCHEMBL24102858 0.82 SMN1; SMN2 (0.49) LMNAHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL21222905 0.82 ALDH1A1 (0.63) MMP13ALDH1A1KCNJ1HTTNAMPT
SCHEMBL29437182 0.82 ALDH1A1 (0.63) MMP13ALDH1A1KCNJ1HTTNAMPT
SCHEMBL21246562 0.80 LMNA (0.63) LMNAHPGDPOLBGLASMN1; SMN2
SCHEMBL21246578 0.80 LMNA (0.55) LMNAHPGDPOLBGLASMN1; 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