SCHEMBL7533304

SCHEMBL7533304

Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2nc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PDE10A Q9Y233 2/20 0.41
PTGER4 P35408 2/20 0.40
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
Bromide SCHEMBL7531537 0.99 KMT2A (0.41) KMT2AMEN1PDE10APTGER4MAPT
SCHEMBL7533840 0.87 TDP1 (0.42) KMT2AMEN1MAPTALDH1A1DHODH
SCHEMBL7562821 0.87 GRM1 (0.41) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL7050086 0.84 MEN1 (0.44) KMT2AMEN1PDE10AMAPTNPSR1
SCHEMBL7533773 0.83 LMNA (0.38) KMT2AMEN1MAPTNPSR1ESR1
SCHEMBL3092289 0.83 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL15413120 0.81 KMT2A (0.48) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL15355193 0.81 KDM4E (0.50) MAPTALDH1A1DHODHKDM4EPOLB
SCHEMBL16141119 0.80 ALDH1A1 (0.39) KMT2AMEN1PTGER4ESR1ESR2
SCHEMBL9631380 0.80 TDP1 (0.47) KMT2AMAPTALDH1A1TSHRDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP 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
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed