SCHEMBL7534675

SCHEMBL7534675

O=C(O)c1cc2ccccc2cc1Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
GFER P55789 1/20 1.00
NGLY1 Q96IV0 1/20 1.00
MAPK8 P45983 2/20 0.65
PTPN1 P18031 1/20 0.62
AKR1C3 P42330 5/20 0.59
AKR1C2 P52895 5/20 0.59
FABP4 P15090 1/20 0.58
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57
AKR1C1 Q04828 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
ABCC1 P33527 1/20 0.53
GRIK1 P39086 1/20 0.52
IDO1 P14902 1/20 0.52
GAA P10253 1/20 0.47

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
SCHEMBL29747498 1.00 MAPT (1.00) MAPTGFERNGLY1MAPK8PTPN1
SCHEMBL351705 0.88 MAPT (0.79) MAPTGFERNGLY1MAPK8AKR1C3
SCHEMBL9172301 0.86 MAPT (0.76) MAPTGFERNGLY1MAPK8AKR1C3
SCHEMBL7535147 0.86 MAPT (0.74) MAPTGFERNGLY1AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL28298843 0.85 MAPT (0.73) MAPTGFERNGLY1MAPK8AKR1C3
Fenamic Acid SCHEMBL7265127 0.84 FABP4 (0.77) MAPTGFERNGLY1MAPK8AKR1C3
SCHEMBL11647008 0.80 CDC25B (0.67) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL8833788 0.80 MAPT (0.67) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL8002116 0.80 MAPT (0.67) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL3766360 0.80 MAPT (0.64) MAPTGFERNGLY1FABP4KDM4E

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