SCHEMBL2807153

SCHEMBL2807153

O=C(Nc1ccccn1)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
NPC1 O15118 11/20 1.00
SMN1; SMN2 Q16637 10/20 1.00
CYP1A2 P05177 1/20 1.00
TP53 P04637 3/20 0.80
USP2 O75604 1/20 0.80
LMNA P02545 4/20 0.74
THRB P10828 1/20 0.74
KDM4E B2RXH2 3/20 0.69
ALOX15 P16050 2/20 0.69
GAA P10253 1/20 0.69
HPGD P15428 1/20 0.69
TSHR P16473 1/20 0.69
ALDH1A1 P00352 4/20 0.67
PKM P14618 4/20 0.67
MAPT P10636 2/20 0.67
HSD17B10 Q99714 2/20 0.67
MAPK8 P45983 1/20 0.61
MAPK10 P53779 1/20 0.61
ADORA3 P0DMS8 1/20 0.58

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
SCHEMBL7163812 0.85 SMN1; SMN2 (0.76) RAB9ANPC1SMN1; SMN2CYP1A2TP53
SCHEMBL9538774 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2CYP1A2TP53
SCHEMBL27545099 0.77 RAB9A (0.72) RAB9ANPC1SMN1; SMN2CYP1A2TP53
SCHEMBL1518754 0.77 MAPK8 (1.00) RAB9ANPC1SMN1; SMN2CYP1A2TP53
SCHEMBL9384187 0.75 NPC1 (0.72) RAB9ANPC1SMN1; SMN2CYP1A2TP53
SCHEMBL28713223 0.75 HPGD (0.63) RAB9ANPC1SMN1; SMN2CYP1A2TP53
SCHEMBL5514972 0.75 HPGD (0.70) RAB9ANPC1SMN1; SMN2CYP1A2TP53
SCHEMBL5558079 0.75 NPC1 (0.60) RAB9ANPC1SMN1; SMN2CYP1A2TP53
SCHEMBL29366822 0.74 RAB9A (0.89) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL2997673 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735850-A Synthesis method of 1,2, 4-triazole compound 河南师范大学 2021-12-03 CN disclosed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP disclosed
WO-2009049422-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1 -GANGLIOSIDOSIS/MORQUIO B DISEASE. AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed
WO-2009049421-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1-GANGLIOSIDOSIS/MORQUIO B DISEASE, AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 WO disclosed