SCHEMBL7953707

SCHEMBL7953707

Cc1c(C(N)=O)c2n(c1-c1ccncc1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
CDC7 O00311 2/20 0.40
CDK9 P50750 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
GAA P10253 1/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL7953701 0.85 CYP11B2 (0.42) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL7957179 0.85 KMT2A (0.40) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL7946357 0.76 HPGD (0.38) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL7954939 0.76 PLAU (0.38) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL9066017 0.74 KMT2A (0.70) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL7946425 0.74 KDM4E (0.49) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL2157416 0.74 CYP11B2 (0.41) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL7955460 0.74 ABCC1 (0.43) KDM4EALDH1A1HTTKMT2AMEN1
SCHEMBL7957140 0.73 KDM4E (0.40) KDM4EALDH1A1LMNAHTTTDP1
SCHEMBL6291378 0.72 RIPK3 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
EP-0833635-A1 NOVEL USE FOR PYRROLE DERIVATIVES Aventis Pharma S.A. (FR) 1998-04-08 EP disclosed
WO-1997000073-A1 NOVEL USE FOR PYRROLE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1997-01-03 WO disclosed