SCHEMBL8790477

SCHEMBL8790477

CCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.86
LMNA P02545 2/20 0.86
SMN1; SMN2 Q16637 2/20 0.86
TRPM8 Q7Z2W7 4/20 0.71
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51

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
SCHEMBL8789867 0.85 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6955073 0.84 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2TRPM8NPC1
SCHEMBL2716702 0.83 TRPM8 (1.00) ALDH1A1LMNASMN1; SMN2TRPM8NPC1
SCHEMBL29280749 0.82 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2TRPM8CRHBP
SCHEMBL8790184 0.82 TRPM8 (0.78) ALDH1A1LMNASMN1; SMN2TRPM8NPC1
SCHEMBL1802673 0.77 CRHBP (0.60) ALDH1A1LMNASMN1; SMN2CRHBPCRHR2
SCHEMBL19439043 0.77 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2CRHBPCRHR2
SCHEMBL7367394 0.77 CRHBP (0.58) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL5721440 0.75 TRPM8 (0.67) ALDH1A1TRPM8NPC1RAB9A
SCHEMBL3963766 0.75 TRPM8 (0.67) ALDH1A1TRPM8NPC1RAB9A

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
CN-1042421-C Acridine derivatives GLAXO LAB SA (FR) 1999-03-10 CN disclosed
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