SCHEMBL9614501

SCHEMBL9614501

Cc1ccc(C(NC(=O)[C@@H](N)CS)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
SLC6A9 P48067 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MMP2 P08253 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.43
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
HSD17B2 P37059 1/20 0.42
MME P08473 2/20 0.42

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
SCHEMBL9614499 1.00 LMNA (0.61) LMNACNR1CNR2SLC6A9ALDH1A1
SCHEMBL12604986 0.82 LMNA (0.69) LMNACNR1CNR2SLC6A9ALDH1A1
SCHEMBL10138758 0.82 LMNA (0.69) LMNACNR1CNR2SLC6A9ALDH1A1
SCHEMBL2067770 0.81 LMNA (0.56) LMNACNR1CNR2SLC6A9ALDH1A1
SCHEMBL28166495 0.79 LMNA (0.64) LMNACNR1CNR2SLC6A9ALDH1A1
SCHEMBL7307442 0.79 CTSC (0.55) LMNAMEN1KMT2ATSHR
SCHEMBL7307439 0.79 CTSC (0.55) LMNAMEN1KMT2ATSHR
SCHEMBL22408310 0.77 LMNA (1.00) LMNACNR1CNR2SLC6A9ALDH1A1
SCHEMBL28166494 0.77 LMNA (0.60) LMNACNR1CNR2SLC6A9ALDH1A1
SCHEMBL5970334 0.76 MMP2 (0.49) MMP2MME

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-0431113-A4 ATRIAL PEPTIDE DERIVATIVES 1992-01-22 EP disclosed
EP-0431113-A1 ATRIAL PEPTIDE DERIVATIVES ABBOTT LABORATORIES (US) 1991-06-12 EP disclosed