SCHEMBL7535246

SCHEMBL7535246

CCOC(=O)c1c2ccc(OCC)cc2nc2cc3ccccc3cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 6/20 0.49
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 8/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PTGS2 P35354 1/20 0.45
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
Hydrochloric Acid SCHEMBL7532676 0.86 KDM4E (0.48) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL7539788 0.81 MEN1 (0.44) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL7533323 0.81 POLB (0.51) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7533317 0.75 MEN1 (0.34) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL13156647 0.73 KDM4E (0.56) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL9393731 0.73 MAOB (0.46) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL8028645 0.73 KMT2A (0.55) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL13156588 0.72 SMN1; SMN2 (0.48) ALDH1A1KDM4EL3MBTL1LMNAMEN1
Hydrochloric Acid SCHEMBL7533241 0.72 MAOB (0.45) ALDH1A1KDM4EKMT2AMAPTGAA
SCHEMBL5835576 0.72 CA12 (0.55) ALDH1A1HPGDKDM4EL3MBTL1LMNA

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