SCHEMBL8836079

SCHEMBL8836079

COc1ccc(CN(C)C/C=C/Cc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
CDC25C P30307 1/20 0.49
CYP19A1 P11511 1/20 0.49
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
TTR P02766 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
SCHEMBL8836082 1.00 ACHE (0.52) ACHECDC25CCYP19A1PTGS2SMN1; SMN2
SCHEMBL8790218 0.88 PTGS2 (0.60) ACHECDC25CCYP19A1PTGS2SMN1; SMN2
SCHEMBL8790222 0.88 PTGS2 (0.60) ACHECDC25CCYP19A1PTGS2SMN1; SMN2
SCHEMBL3143902 0.86 ACHE (0.65) ACHECDC25CCYP19A1PTGS2SMN1; SMN2
SCHEMBL8790080 0.81 CYP19A1 (0.54) ACHECYP19A1SMN1; SMN2KMT2AALDH1A1
SCHEMBL8790071 0.81 CYP19A1 (0.54) ACHECYP19A1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3153190 0.79 CDC25C (0.67) ACHECDC25CSMN1; SMN2KCNH2KMT2A
SCHEMBL9827783 0.78 PTGS2 (0.68) CYP19A1PTGS2SMN1; SMN2LMNAKMT2A
SCHEMBL9827777 0.78 PTGS2 (0.68) CYP19A1PTGS2SMN1; SMN2LMNAKMT2A
SCHEMBL8789055 0.77 ACHE (0.58) ACHECDC25CSMN1; SMN2LMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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