SCHEMBL1863083

SCHEMBL1863083

[CH2]c1nc(-c2ccncc2)oc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ATAD2 Q6PL18 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
STAT1 P42224 1/20 0.41
PIK3CB P42338 2/20 0.40
PIK3CA P42336 1/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38

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
SCHEMBL3758086 0.82 KDM4E (0.51) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL13633790 0.80 TP53 (0.50) TP53PKMNPC1RAB9AMEN1
SCHEMBL5543992 0.79 NPC1 (0.48) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL5534898 0.79 TARBP2 (0.50) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL1868373 0.79 PTPN1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1803771 0.79 NPC1 (0.52) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL27518578 0.74 RAB9A (0.49) TP53PKMNPC1RAB9AMEN1
SCHEMBL5385072 0.73 KDM4E (0.50) TP53PKMNPC1RAB9AMEN1
SCHEMBL5562436 0.73 RXFP1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL25307839 0.70 KDM4E (0.44) TP53PKMNPC1RAB9AMEN1

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
WO-2011051961-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND RELATED DISEASES CADILA HEALTHCARE LIMITED (IN) 2011-05-05 WO claimed
WO-2011051961-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND RELATED DISEASES CADILA HEALTHCARE LIMITED (IN) 2011-05-05 WO disclosed