SCHEMBL437638

SCHEMBL437638

Cc1cc(N)c2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.59
TERT O14746 4/20 0.55
NCF1 P14598 1/20 0.54
GNG2 P59768 2/20 0.54
GNB1 P62873 2/20 0.54
MEN1 O00255 1/20 0.54
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
ALOX15 P16050 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DOT1L Q8TEK3 3/20 0.51
GAK O14976 1/20 0.50
OPRL1 P41146 1/20 0.49
BACE1 P56817 1/20 0.47
NR4A2 P43354 1/20 0.46

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
SCHEMBL19983427 0.83 CYP1A2 (0.56) MCHR1GAKBACE1
SCHEMBL29588619 0.83 CYP1A2 (0.56) MCHR1GAKBACE1
SCHEMBL9494192 0.80 GAK (0.50) MCHR1GAKBACE1
SCHEMBL5101813 0.80 LMNA (0.62) MCHR1GAKBACE1
SCHEMBL21173342 0.78 GAK (0.48) MCHR1MEN1KMT2AGAKBACE1
SCHEMBL439684 0.77 NCF1 (0.59) TERTNCF1GNG2GNB1MEN1
SCHEMBL437720 0.77 MCHR1 (0.69) MCHR1
SCHEMBL438604 0.77 NCF1 (0.63) TERTNCF1GNG2GNB1MEN1
SCHEMBL3235863 0.77 NCF1 (0.63) TERTNCF1GNG2GNB1MEN1
SCHEMBL6204655 0.76 MCHR1 (1.00) MCHR1KMT2A

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