SCHEMBL7946357

SCHEMBL7946357

Cc1c(C(N)=O)c2n(c1-c1cccnc1Cl)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
DHODH Q02127 5/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GAA P10253 2/20 0.33
USP14 P54578 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7955530 0.89 HPGD (0.39) HPGDDHODHKDM4EMEN1KMT2A
SCHEMBL7946455 0.87 HPGD (0.38) HPGDDHODHKDM4EMEN1KMT2A
SCHEMBL7957120 0.87 HPGD (0.38) HPGDMEN1KMT2ACSNK1DCSNK1E
SCHEMBL7954939 0.87 PLAU (0.38) DHODHKDM4EMEN1KMT2AADORA3
SCHEMBL7957140 0.84 KDM4E (0.40) HPGDKDM4EMEN1KMT2AADORA3
SCHEMBL7955823 0.82 MKNK1 (0.41) HPGDKDM4EMEN1KMT2AADORA3
SCHEMBL7961792 0.80 DHODH (0.36) HPGDDHODHALDH1A1MKNK1MKNK2
SCHEMBL7946555 0.78 PLAU (0.38) HPGDMEN1KMT2ACSNK1DCSNK1E
SCHEMBL7953701 0.77 CYP11B2 (0.42) KDM4EMEN1KMT2ACSNK1DCSNK1E
SCHEMBL7960169 0.77 ABCC1 (0.42) HPGDKDM4EMEN1KMT2AALDH1A1

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed