SCHEMBL7534288

SCHEMBL7534288

COC(=O)c1c2cc(OC)ccc2nc2cc3ccccc3cc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.61
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
DHODH Q02127 2/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NQO2 P16083 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PLA2G10 O15496 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 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
SCHEMBL7533914 0.89 CYP2D6 (0.55) PLA2G2ACYP2D6CYP2C9DHODHKDM4E
SCHEMBL7536012 0.84 KMT2A (0.56) PLA2G2AKDM4EALDH1A1POLBHPGD
SCHEMBL8142880 0.83 PLA2G2A (0.54) PLA2G2ADHODHKDM4EALDH1A1POLB
SCHEMBL38661529 0.83 PLA2G2A (0.54) PLA2G2ADHODHKDM4EALDH1A1POLB
SCHEMBL641481 0.79 KDM4E (0.62) PLA2G2ADHODHKDM4EALDH1A1POLB
SCHEMBL8050448 0.78 PLA2G2A (0.50) PLA2G2ACYP2D6CYP2C9DHODHKDM4E
SCHEMBL3036200 0.78 KDM4E (0.56) PLA2G2ADHODHKDM4EALDH1A1POLB
SCHEMBL7533761 0.78 KDM4E (0.54) CYP2D6CYP2C9KDM4EALDH1A1POLB
SCHEMBL28100583 0.77 PLA2G2A (0.54) PLA2G2ADHODHKDM4EALDH1A1POLB
SCHEMBL7531961 0.76 PLA2G2A (0.48) PLA2G2ADHODHKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5702887-A BENZ(B)ACRIDINIUM-12-CARBOXYLATE COMPOUNDS CHIRON DIAGNOSTICS CORPORATION (US) 1997-12-30 US claimed
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5879894-A DETECTION AND/OR QUANTITATION OF AT LEAST TWO SUBSTANCES IN A TEST SAMPLE; APPLICATION IN CLINICAL DIAGNOSTICS CHIRON DIAGNOSTICS CORPORATION (US) 1999-03-09 US disclosed
US-5702887-A BENZ(B)ACRIDINIUM-12-CARBOXYLATE COMPOUNDS CHIRON DIAGNOSTICS CORPORATION (US) 1997-12-30 US disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed