SCHEMBL9730614

SCHEMBL9730614

CC(C(=NO)c1ccc(Cl)cc1Cl)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP19A1 P11511 1/20 0.42
LMNA P02545 4/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP11B2 P19099 1/20 0.38
KLK7 P49862 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL9729380 0.82 RAB9A (0.42) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9729505 0.82 KMT2A (0.47) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9376707 0.74 MEN1 (0.43) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL9729720 0.71 P2RX7 (0.34) KMT2ARAB9AALDH1A1NPC1NFKB1
SCHEMBL10686846 0.69 KCNA5 (0.45) KMT2AMEN1ALDH1A1CYP19A1LMNA
SCHEMBL9729603 0.68 LMNA (0.52) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL10967991 0.68 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1CYP19A1LMNA
SCHEMBL11661439 0.68 MEN1 (0.55) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL11661442 0.68 MEN1 (0.55) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL10688955 0.68 CYP19A1 (0.46) KMT2AMEN1CYP19A1LMNAHTT

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