SCHEMBL6625937

SCHEMBL6625937

COc1cc(OC)cc(Oc2cc(NNC(=O)c3ccco3)nc(SC)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
AKT1 P31749 1/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 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
SCHEMBL6624257 0.90 HTT (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL6625765 0.89 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL6627858 0.87 LMNA (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL6623473 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL6625095 0.86 LMNA (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL6629167 0.84 KMT2A (0.53) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL6196383 0.79 KMT2A (0.47) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL6627389 0.76 MEN1 (0.54) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL6624562 0.74 MEN1 (0.53) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL6626650 0.73 MAPT (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976753-B1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-01-02 EP disclosed
US-6222035-B1 AS ADENOSINE A.SUB.2A RECEPTOR ANTAGONISTS AND ARE USEFUL FOR THERAPY OR OR PROPHYLAXIS OF VARIOUS DISEASES INDUCED BY HYPERACTIVITY OF ADENOSINE A.SUB.2A RECEPTORS SUCH AS PARKINSON'S DISEASE, SENILE DEMENTIA OR DEPRESSION KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-24 US disclosed
EP-0976753-A1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-02 EP disclosed