SCHEMBL7811485

SCHEMBL7811485

CC1(c2ccc(Cl)cc2)NC(C(=O)O)Cc2c1[nH]c1ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
KMT2A Q03164 4/20 0.54
OPRM1 P35372 4/20 0.46
OGFRL1 Q5TC84 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SSTR3 P32745 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C9 P11712 1/20 0.43
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
PDE5A O76074 1/20 0.40

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
SCHEMBL3850930 0.92 KDM4E (0.75) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
SCHEMBL17760582 0.85 KDM4E (0.62) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
SCHEMBL3482945 0.85 KDM4E (0.62) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
SCHEMBL21292841 0.83 KDM4E (0.59) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
SCHEMBL7706563 0.82 KDM4E (0.61) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
SCHEMBL1922261 0.82 KDM4E (0.61) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
SCHEMBL7687272 0.82 KDM4E (0.61) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
SCHEMBL1420044 0.82 KDM4E (0.61) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
SCHEMBL7712450 0.82 KDM4E (0.61) KDM4EKMT2AOPRM1OGFRL1ALDH1A1
Hydrochloric Acid SCHEMBL1894628 0.81 KDM4E (0.60) KDM4EKMT2AOPRM1OGFRL1ALDH1A1

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-0859778-B1 TETRAHYDROIMIDAZOPYRIDOINDOLEDIONES AS INHIBITORS OF cGMP SPECIFIC PDE ICOS CORP (US) 2001-12-19 EP disclosed