SCHEMBL9013519

SCHEMBL9013519

COc1ccc(-c2nc(O)cc(C(F)(F)F)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
NT5E P21589 1/20 0.51
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
PTGS2 P35354 2/20 0.49
MEN1 O00255 4/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 5/20 0.48
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.45
ALPL P05186 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
SCHEMBL2118153 0.85 ESR2 (0.52) KDM4EKMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL9013632 0.81 KDM4E (0.55) KDM4ENT5EKMT2AALDH1A1HPGD
SCHEMBL9013541 0.79 ABCG2 (0.54) KDM4EKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL6494121 0.79 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1HPGDTP53
SCHEMBL602293 0.78 LMNA (0.64) KDM4EKMT2AHPGDTP53NPSR1
SCHEMBL5483659 0.74 PIK3CA (0.43)
SCHEMBL6637129 0.74 FABP3 (0.57) KDM4EKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL338452 0.73 CLK4 (0.64) KDM4EKMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL601281 0.73 HSD17B10 (0.54) KDM4ENT5EKMT2AALDH1A1HPGD
SCHEMBL5483100 0.73 ABCG2 (0.71) KDM4EKMT2AALDH1A1PTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed