SCHEMBL7672237

SCHEMBL7672237

COc1cccc(C2=NC(=CN3CCN(c4nc5ccccc5[nH]4)CC3)C(=O)O2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
HPGD P15428 2/20 0.49
CCKAR P32238 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CASP1 P29466 1/20 0.46
OPRK1 P41145 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DAPK3 O43293 1/20 0.45

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
SCHEMBL7672232 1.00 RAB9A (0.49) RAB9ANPC1HPGDCCKARSMN1; SMN2
SCHEMBL7667849 0.88 RAB9A (0.48) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL7667843 0.88 RAB9A (0.48) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL7663700 0.88 LMNA (0.48) RAB9ANPC1HPGDCCKARSMN1; SMN2
SCHEMBL7663710 0.88 LMNA (0.48) RAB9ANPC1HPGDCCKARSMN1; SMN2
SCHEMBL7667639 0.87 RAB9A (0.59) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL7667633 0.87 RAB9A (0.59) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL7671301 0.86 RAB9A (0.46) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL7671299 0.86 RAB9A (0.46) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL7666705 0.85 NPY5R (0.47) RAB9ACCKARSMN1; SMN2TP53GAA

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
US-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO disclosed