SCHEMBL9868181

SCHEMBL9868181

Clc1ccc(-c2nc3ncccc3o2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.71
RAB9A P51151 8/20 0.71
ALDH1A1 P00352 8/20 0.65
HPGD P15428 7/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
KDM4E B2RXH2 7/20 0.61
MEN1 O00255 1/20 0.61
ADRB2 P07550 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 4/20 0.57
TP53 P04637 1/20 0.57
ALOX12 P18054 1/20 0.57
HAVCR2 Q8TDQ0 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 6/20 0.57
RXFP1 Q9HBX9 1/20 0.57
GAA P10253 4/20 0.54
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL12910353 0.90 NPC1 (0.81) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12910367 0.85 NPC1 (0.73) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1675417 0.84 NPC1 (0.73) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL17391943 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2249527 0.83 RAB9A (0.71) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL9155132 0.83 NPC1 (1.00) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL941615 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4143617 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL21249244 0.83 NPC1 (0.70) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL19380251 0.80 NPC1 (0.70) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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-5077408-A PROCESS FOR THE SYNTHESIS OF OXAZOLOPYRIDINE COMPOUNDS SCIENCE ET ORGANISATION (FR) 1991-12-31 US disclosed
US-5061713-A NO ANTIINFLAMMATORY ACTIVITY SCIENCE ET ORGANIZATION (FR) 1991-10-29 US disclosed