SCHEMBL6534209

SCHEMBL6534209

COc1ccc2nc(-c3ccccc3)cc(Cl)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
AURKA O14965 1/20 0.63
AURKB Q96GD4 1/20 0.63
PLA2G2A P14555 2/20 0.61
ALDH1A1 P00352 2/20 0.61
ACACA Q13085 1/20 0.58
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
NQO2 P16083 1/20 0.52
ESRRB O95718 1/20 0.51
ESR1 P03372 1/20 0.51
ESRRA P11474 1/20 0.51
ESR2 Q92731 1/20 0.51
TACR3 P29371 3/20 0.51
ACP1 P24666 2/20 0.50

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
SCHEMBL4496204 0.92 KDM4E (0.65) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL29636809 0.92 KDM4E (0.65) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL4909833 0.91 KDM4E (0.59) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL374734 0.90 KDM4E (0.72) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL6534318 0.85 MAPT (0.71) KDM4ESMN1; SMN2AURKAAURKBALDH1A1
SCHEMBL29636789 0.85 MAPT (0.71) KDM4ESMN1; SMN2AURKAAURKBALDH1A1
SCHEMBL28350370 0.84 KDM4E (0.75) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL30064616 0.84 KDM4E (0.75) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL1289553 0.84 ACP1 (0.56) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL13757621 0.83 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2MEN1KMT2AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed
US-5506235-A Quinoline derivatives as immunostimulants PFIZER INC. (US) 1996-04-09 US disclosed
EP-0597003-A1 QUINOLINE DERIVATIVES AS IMMUNOSTIMULANTS PFIZER INC. (US) 1994-05-18 EP disclosed
WO-1993003030-A1 QUINOLINE DERIVATIVES AS IMMUNOSTIMULANTS PFIZER INC. (US) 1993-02-18 WO disclosed