SCHEMBL437101

SCHEMBL437101

CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 2/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 4/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
PKM P14618 1/20 0.49
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
KDM4E B2RXH2 1/20 0.45
HAVCR2 Q8TDQ0 1/20 0.45
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL436903 0.90 KMT2A (0.65) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL6200696 0.86 ALDH1A1 (0.62) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL440425 0.85 KMT2A (0.68) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL439469 0.82 KMT2A (0.67) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL437796 0.82 NPC1 (0.54) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL438821 0.80 KMT2A (0.55) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL436657 0.80 KDM4E (0.59) KMT2ANPC1RAB9AALDH1A1HTT
SCHEMBL440196 0.80 NPC1 (0.52) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL440533 0.80 KMT2A (0.65) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL436629 0.80 KMT2A (0.65) KMT2ANPC1RAB9AALDH1A1USP2

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed