SCHEMBL3573148

SCHEMBL3573148

Nc1ccc(C(=O)c2ccc3c(c2)NC(=O)C3)cc1.O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.43
MAPK1 P28482 2/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
POLB P06746 2/20 0.37
SRD5A2 P31213 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.34
VCAM1 P19320 1/20 0.34
PKM P14618 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL3625164 0.82 TDP2 (0.40) TDP2MAPK1LMNAGAASMYD3
SCHEMBL3582037 0.80 SRD5A2 (0.55) MAPK1LMNAGAAPOLBSRD5A2
SCHEMBL3582033 0.80 SRD5A2 (0.55) MAPK1LMNAGAAPOLBSRD5A2
SCHEMBL3573881 0.78 SMYD3 (0.55) TDP2SMYD3CA9CRBN
SCHEMBL3579843 0.73 TDP2 (0.58) TDP2MAPK1LMNAGAASMYD3
SCHEMBL7681995 0.72 MAPK1 (0.62) MAPK1LMNAPOLBMAPTALDH1A1
SCHEMBL7681987 0.72 MAPK1 (0.62) MAPK1LMNAPOLBMAPTALDH1A1
SCHEMBL7679044 0.69 SMYD3 (0.53) TDP2GAASMYD3ALDH1A1TDP1
SCHEMBL3573876 0.69 SMYD3 (0.56) TDP2SMYD3CRBN
SCHEMBL7047455 0.69 ALOX15 (0.54) MAPK1LMNAGAAPOLBMAPT

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
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed