SCHEMBL7364732

SCHEMBL7364732

Cc1n[nH]c2cc(NC(=O)c3ccccc3N)cc(C(=O)OC(C)(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.43
FADS1 O60427 3/20 0.43
PTGS1 P23219 2/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
KDR P35968 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL7365516 0.89 FADS1 (0.47) P2RX1FADS1PTGS1JAK2JAK1
SCHEMBL7365270 0.85 ALDH1A1 (0.47) P2RX1KDM4ERAB9AMEN1KMT2A
SCHEMBL7367677 0.83 NR1H4 (0.54) RXFP1NPC1RAB9AALDH1A1
SCHEMBL7367977 0.79 JAK2 (0.46) P2RX1FADS1PTGS1JAK2JAK1
SCHEMBL7370255 0.74 KMT2A (0.46) P2RX1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7368382 0.73 NR1H4 (0.55) RXFP1NPC1RAB9AALDH1A1
SCHEMBL7365818 0.72 SCN3A (0.46) P2RX1FADS1PTGS1RXFP1NPC1
SCHEMBL1780159 0.71 NPC1 (0.37) P2RX1FADS1PTGS1HSD17B10KDM4E
SCHEMBL29851692 0.69 ALDH1A1 (0.63) HSD17B10KDM4ENPC1RAB9AMEN1
SCHEMBL171563 0.69 ALDH1A1 (0.63) HSD17B10KDM4ENPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed