SCHEMBL7965246

SCHEMBL7965246

CC(C)(C)OC(=O)NNCc1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.41
CTSK P43235 6/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CTSL P07711 3/20 0.40
CTSB P07858 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
P2RX7 Q99572 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL5855817 0.86 KCNA5 (0.48) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL14564600 0.80 TSHR (0.44) LMNAPOLBTSHRNPC1RAB9A
SCHEMBL7328664 0.80 HPGD (0.45) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL7391934 0.79 NPC1 (0.49) LMNAPOLBALDH1A1TSHRNPC1
SCHEMBL6232571 0.79 RIPK1 (0.50) CTSSCTSKPTPN1LMNAPOLB
SCHEMBL1573222 0.78 ITGA4 (0.54) ALDH1A1NPC1RAB9AMEN1GAA
SCHEMBL3180198 0.77 ATM (0.53) CTSSCTSKALDH1A1NPC1RAB9A
SCHEMBL21960819 0.76 KCNA5 (0.56) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL4632779 0.75 CA12 (0.60) CTSSCTSKLMNACTSLCTSB
SCHEMBL6443449 0.75 EPHX2 (0.49) CTSSCTSKCTSLCTSBRAB9A

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
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed