SCHEMBL437287

SCHEMBL437287

COc1cccc2c(N)cc(C)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.61
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
NCF1 P14598 1/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.47
MCHR1 Q99705 1/20 0.47
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
SLC2A1 P11166 1/20 0.46
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
HSP90AA1 P07900 1/20 0.45
LMNA P02545 1/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL26766431 0.84 CRHR1 (0.58) KDM4EGFERSMN1; SMN2ALDH1A1HPGD
SCHEMBL18535287 0.83 KDM4E (0.59) KDM4ETDP1GFERSMN1; SMN2ALDH1A1
SCHEMBL437125 0.81 NR4A2 (0.55) NR4A2KDM4ETDP1NCF1GFER
SCHEMBL29393886 0.80 MAPT (0.57) NR4A2KDM4EGFERSMN1; SMN2ALDH1A1
SCHEMBL1563307 0.80 GFER (0.50) KDM4EGFERSMN1; SMN2ALDH1A1HPGD
SCHEMBL11619165 0.80 KDM4E (0.65) NR4A2KDM4ETDP1NCF1GFER
SCHEMBL316994 0.80 MAPT (0.57) NR4A2KDM4EGFERSMN1; SMN2ALDH1A1
SCHEMBL1564292 0.80 GAA (0.54) KDM4ETDP1GFERSMN1; SMN2ALDH1A1
SCHEMBL21000819 0.80 GFER (0.60) KDM4EGFERSMN1; SMN2ALDH1A1HPGD
SCHEMBL438224 0.79 NR4A2 (0.69) NR4A2KDM4ETDP1NCF1SMN1; SMN2

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