SCHEMBL3788643

SCHEMBL3788643

O=c1cc[nH]c2c(-c3ccccc3)cnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.43
MAPT P10636 4/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 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
SCHEMBL13990620 0.81 PLAT (0.48) PLATMAPTNPC1RAB9AMEN1
SCHEMBL13153943 0.73 KDM4E (0.31) KDM4EBRD4CREBBP
SCHEMBL13516747 0.72 PLAT (0.43) PLATNPC1
SCHEMBL8685707 0.71 KDR (0.39) PLATMAPTNPC1RAB9AMEN1
SCHEMBL19926063 0.70 MEN1 (0.40) PLATMAPTNPC1RAB9AMEN1
SCHEMBL170616 0.69 KDM4D (0.40) PLATMEN1KMT2AKDM4EALDH1A1
SCHEMBL19927200 0.69 KDM4E (0.42) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4048020 0.68 HPGD (0.52) PLATRAB9AKDM4EALDH1A1HPGD
SCHEMBL19927088 0.66 PARP1 (0.52) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25248458 0.60 MAPT (0.50) MAPTRAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed