SCHEMBL441848

SCHEMBL441848

CCOc1ccc2ncc(Cl)c(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
BLM P54132 2/20 0.55
TERT O14746 1/20 0.55
ABCB11 O95342 1/20 0.55
LMNA P02545 1/20 0.55
THRB P10828 1/20 0.55
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 3/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 5/20 0.45
CASP7 P55210 3/20 0.45
CASP1 P29466 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
TYMS P04818 1/20 0.44
MAP4K4 O95819 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
SCHEMBL440060 0.84 BCHE (0.50) LMNAMAPTKDM4EMAP4K4
SCHEMBL439021 0.82 KMT2A (0.55) KMT2AMEN1BLMTERTABCB11
SCHEMBL21281225 0.81 MEN1 (0.53) KMT2AMEN1BLMTERTABCB11
SCHEMBL436589 0.78 ALDH1A1 (0.46) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL437175 0.78 NPC1 (0.44) BLMLMNAHSD17B10TP53CYP3A4
SCHEMBL439500 0.77 ALDH1A1 (0.60) KMT2AMEN1BLMTERTABCB11
SCHEMBL440082 0.76 LMNA (0.47) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL437781 0.75 MAPT (0.61) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL439464 0.75 NR4A2 (0.55) MAP4K4CYP1A2
SCHEMBL16554120 0.74 MEN1 (0.76) KMT2AMEN1BLMTERTABCB11

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