SCHEMBL6997448

SCHEMBL6997448

CC(=O)Oc1ccc(N2C(=O)CCC2c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ATM Q13315 1/20 0.51
TNKS O95271 2/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
ELANE P08246 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GFER P55789 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL10691782 0.84 KMT2A (0.47) KMT2AMEN1TNKSHDAC1HDAC8
SCHEMBL10570755 0.81 GLA (0.48) GLAKMT2AMEN1ATMTDP1
SCHEMBL3739324 0.80 HDAC6 (0.54) TNKSHDAC1HDAC8HDAC6CCNA2
SCHEMBL11113574 0.80 GLA (0.59) GLAKMT2AATMNPSR1CCNA2
SCHEMBL3586685 0.78 ALDH1A1 (0.49) TNKSHDAC1HDAC8HDAC6CCNA2
SCHEMBL14155611 0.78 HDAC1 (0.55) KMT2AMEN1TNKSHDAC1HDAC8
SCHEMBL3584808 0.78 ALDH1A1 (0.49) TNKSHDAC1HDAC8HDAC6CCNA2
SCHEMBL6783997 0.77 CCNA2 (0.60) KMT2AMEN1TNKSHDAC1HDAC8
SCHEMBL10574183 0.76 TDP1 (0.55) KMT2AMEN1TDP1ALDH1A1GFER
SCHEMBL5591295 0.76 LMNA (0.53) TNKSHDAC1HDAC8HDAC6CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 WO disclosed