SCHEMBL6562633

SCHEMBL6562633

[O]C(=O)Cc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
CTBP2 P56545 1/20 0.53
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
APEX1 P27695 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
EGFR P00533 2/20 0.48
ERBB2 P04626 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL526194 0.82 GAA (0.57) GAACTBP2TDP1POLBAPEX1
SCHEMBL104746 0.80 CA2 (0.62) GAACTBP2TDP1POLBAPEX1
SCHEMBL11185173 0.80 GAA (0.55) GAACTBP2TDP1POLBAPEX1
Bicarbonate SCHEMBL29794541 0.79 CA2 (0.59) GAACTBP2TDP1POLBAPEX1
Hydrochloric Acid SCHEMBL2170212 0.78 CA2 (0.60) GAACTBP2TDP1POLBAPEX1
Fluoride SCHEMBL11185179 0.78 CA2 (0.60) GAACTBP2TDP1POLBAPEX1
SCHEMBL4324709 0.78 GAA (0.53) GAACTBP2TDP1POLBAPEX1
SCHEMBL11578280 0.78 GAA (0.53) GAACTBP2TDP1POLBAPEX1
Silver SCHEMBL4963388 0.78 GAA (0.53) GAACTBP2TDP1POLBAPEX1
SCHEMBL7493887 0.78 GAA (0.53) GAACTBP2TDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
US-5661148-A ANTIHYPOXIC AGENT FOR RESPIRATORY SYSTEM DISORDER TEIJIN LIMITED (JP) 1997-08-26 US disclosed
EP-0514540-B1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-07-17 EP disclosed
EP-0514540-A1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-11-25 EP disclosed