SCHEMBL8469668

SCHEMBL8469668

COc1ccc(N(C(=O)c2c3ccccc3[n+](C)c3ccccc23)S(=O)(=O)c2ccc(CCCCC(=O)ON3C(=O)CCC3=O)cc2)cc1.O=S(=O)([O-])F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
F2 P00734 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP3 P08254 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCR3 P49682 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8469537 0.95 ALDH1A1 (0.39) ALDH1A1KMT2AF2HPGDPOLB
Trifluoromethanesulfonic Acid SCHEMBL4426555 0.90 ALDH1A1 (0.37) ALDH1A1KMT2AF2HPGDPOLB
SCHEMBL8472099 0.88 TP53 (0.35) ALDH1A1TP53MAPTGAAKEAP1
SCHEMBL8470438 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AF2HPGDPOLB
SCHEMBL8469157 0.84 KEAP1 (0.36) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL8470372 0.84 TP53 (0.37) ALDH1A1TP53MAPTGAAKEAP1
SCHEMBL8469774 0.83 LMNA (0.39) TP53MAPTGAAKEAP1NFE2L2
SCHEMBL8469304 0.82 TSHR (0.39) ALDH1A1KMT2AHPGDPOLBTP53
SCHEMBL8470105 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AF2HPGDPOLB
SCHEMBL13433231 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AF2HPGDTP53

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-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US claimed
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed
US-5879953-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
US-5783696-A Special chemiluminescent acridine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed