SCHEMBL9602498

SCHEMBL9602498

CCOP(=O)(OCC)C(C)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.45
GAA P10253 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.38
NEK2 P51955 1/20 0.37
PKM P14618 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
SCHEMBL1542688 0.81 POLB (0.66) KDM4EMAPTPOLBALDH1A1LMNA
SCHEMBL6061007 0.81 POLB (0.49) KDM4EMAPTPOLBALDH1A1LMNA
SCHEMBL2031316 0.79 POLB (0.45) KDM4EMAPTPOLBGAAALDH1A1
SCHEMBL1832869 0.79 KDM4E (0.52) KDM4EMAPTPOLBGAAEPHX2
SCHEMBL13653135 0.76 PTGS1 (0.45) POLBGAALMNA
SCHEMBL12643728 0.76 POLB (0.42) KDM4EMAPTPOLBGAAALDH1A1
SCHEMBL9138893 0.75 EPHX2 (0.43) KDM4EMAPTPOLBGAAEPHX2
SCHEMBL8170507 0.74 HMGCR (0.55) KDM4EMAPTPOLBGAAEPHX2
SCHEMBL1759898 0.73 L3MBTL1 (0.57) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL2127918 0.73 L3MBTL1 (0.57) KDM4EMAPTGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP disclosed