SCHEMBL8791027

SCHEMBL8791027

COc1ccc(CN(C)CCCOc2cccc(N)c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.51
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
BLM P54132 2/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
OPRM1 P35372 3/20 0.47
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
OPRK1 P41145 1/20 0.46
TSHR P16473 1/20 0.46
ACHE P22303 4/20 0.45
BCHE P06276 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PMP22 Q01453 1/20 0.44

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
SCHEMBL8790500 0.86 CYP19A1 (0.51) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8790671 0.84 KDM4E (0.48) NR1H3KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8790280 0.83 KDM4E (0.58) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8789820 0.82 KDM4E (0.46) NR1H3KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8789780 0.81 KDM4E (0.45) NR1H3KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8790366 0.80 TSHR (0.53) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8790689 0.80 KDM4E (0.67) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8789870 0.77 CYP19A1 (0.63) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8790306 0.76 CYP19A1 (0.61) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8790388 0.76 KDM4E (0.47) NR1H3KDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed