SCHEMBL4348497

SCHEMBL4348497

CC(C)(C)N(C[C@@H](N)Cc1cccs1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
CTSC P53634 7/20 0.46
RAB9A P51151 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
RIPK1 Q13546 1/20 0.40
LMNA P02545 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4348503 1.00 CYP2C19 (0.49) CYP2C19CTSCRAB9ATRPM8SLC1A3
SCHEMBL1527219 0.79 EPHX1 (0.48) RAB9ASLC1A3SLC1A2SLC1A1LMNA
SCHEMBL14860145 0.79 EPHX1 (0.48) RAB9ASLC1A3SLC1A2SLC1A1LMNA
SCHEMBL14860143 0.79 EPHX1 (0.48) RAB9ASLC1A3SLC1A2SLC1A1LMNA
SCHEMBL7685603 0.78 TRPM8 (0.58) CYP2C19TRPM8RIPK1POLBTDP1
SCHEMBL1027537 0.76 TRPM8 (0.49) CYP2C19RAB9ATRPM8RIPK1POLB
SCHEMBL4347700 0.75 ANPEP (0.40) CYP2C19RAB9ALMNADPP4
SCHEMBL4347705 0.75 ANPEP (0.40) CYP2C19RAB9ALMNADPP4
SCHEMBL2753684 0.75 CYP2C19 (0.44) CYP2C19CTSCRAB9ASLC1A3SLC1A2
SCHEMBL1025811 0.74 MEN1 (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed