SCHEMBL9729505

SCHEMBL9729505

CC(C(=O)c1ccc(Cl)cc1Cl)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
CYP11B2 P19099 1/20 0.45
CYP19A1 P11511 1/20 0.44
KLK7 P49862 1/20 0.44
HTT P42858 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9730614 0.82 KMT2A (0.43) KMT2ARAB9AALDH1A1MEN1NPC1
SCHEMBL10906811 0.78 POLB (0.47) KMT2ARAB9AALDH1A1MEN1NPC1
SCHEMBL7269217 0.76 POLB (0.47) KMT2AALDH1A1MAPTCYP11B2CYP19A1
SCHEMBL11244188 0.74 RAB9A (0.52) KMT2ARAB9AALDH1A1MEN1NPC1
SCHEMBL9729380 0.74 RAB9A (0.42) KMT2ARAB9AALDH1A1MEN1NPC1
SCHEMBL9372025 0.73 SMN1; SMN2 (0.41) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL9877764 0.73 ALDH1A1 (0.51) KMT2ARAB9AALDH1A1MEN1NPC1
SCHEMBL4418464 0.73 CYP19A1 (0.54) LMNACYP19A1GAA
SCHEMBL27492286 0.72 CYP19A1 (0.52) LMNACYP19A1GAA
SCHEMBL30209768 0.72 SMN1; SMN2 (0.59) KMT2ARAB9AALDH1A1MEN1NPC1

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
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed
EP-0445069-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed