SCHEMBL5438142

SCHEMBL5438142

O=C(NCc1ccc(-c2ccc(O)cc2)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.71
NR1H4 Q96RI1 2/20 0.71
HDAC1 Q13547 6/20 0.69
HDAC6 Q9UBN7 5/20 0.69
HDAC3 O15379 3/20 0.69
HDAC2 Q92769 3/20 0.69
HDAC8 Q9BY41 2/20 0.69
HDAC4 P56524 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
EGFR P00533 2/20 0.68
TRPV1 Q8NER1 1/20 0.64
ROCK2 O75116 1/20 0.63
RPS6KA5 O75582 1/20 0.63
MAP4K4 O95819 1/20 0.63
PRKCG P05129 1/20 0.63
PRKACA P17612 1/20 0.63

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
SCHEMBL2062871 0.95 HDAC1 (0.73) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL2924662 0.88 HDAC6 (0.74) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL9416580 0.86 HDAC6 (0.64) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL539059 0.84 EPHX2 (0.84) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL11711200 0.84 RAB9A (0.66) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL457082 0.84 HDAC6 (0.79) EPHX2NR1H4HDAC1HDAC6HDAC2
SCHEMBL29184442 0.82 HDAC6 (0.76) EPHX2NR1H4HDAC1HDAC6HDAC2
Hydrochloric Acid SCHEMBL3757721 0.82 HDAC6 (0.76) EPHX2NR1H4HDAC1HDAC6HDAC2
SCHEMBL6386658 0.82 HDAC6 (1.00) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL10099575 0.81 NR1H4 (0.84) EPHX2NR1H4HDAC1HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007530524-A 2007-11-01 JP claimed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP claimed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO claimed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed