SCHEMBL1921582

SCHEMBL1921582

CC(Cl)C(=O)C1(c2ccc3c(c2)OCO3)NC(C(=O)O)Cc2c1[nH]c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
OPRM1 P35372 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 2/20 0.37
PDE5A O76074 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL1922009 0.86 KDM4E (0.52) KDM4EALOX15HSD17B10KMT2AMEN1
SCHEMBL7712450 0.83 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AMEN1
SCHEMBL7687272 0.83 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AMEN1
SCHEMBL7706563 0.83 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AMEN1
SCHEMBL1922261 0.83 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AMEN1
SCHEMBL1420044 0.83 KDM4E (0.61) KDM4EALOX15HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL1894628 0.82 KDM4E (0.60) KDM4EALOX15HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL1784781 0.82 KDM4E (0.60) KDM4EALOX15HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL1893884 0.80 KDM4E (0.54) KDM4EALOX15HSD17B10KMT2AMEN1
SCHEMBL14541670 0.73 OPRM1 (0.54) KDM4EALOX15HSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327408-A1 Tetracyclic cyclic gmp-specific phosphodiesterase inhibitors for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2011-06-01 EP disclosed