SCHEMBL21246586

SCHEMBL21246586

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
ALDH1A1 P00352 4/20 0.55
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
USP2 O75604 1/20 0.50
KCNJ1 P48048 1/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
BLM P54132 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
MMP13 P45452 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
SCHEMBL21246570 0.90 KMT2A (0.53) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246562 0.90 LMNA (0.63) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246634 0.89 LMNA (0.53) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246583 0.89 LMNA (0.58) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246553 0.88 ALDH1A1 (0.59) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246584 0.88 LMNA (0.52) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246587 0.87 TRPV1 (0.58) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246582 0.87 GAA (0.67) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246577 0.87 LMNA (0.53) LMNAALDH1A1POLBHPGDGLA
SCHEMBL21246585 0.86 DDR1 (0.57) LMNAALDH1A1POLBHPGDGLA

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