SCHEMBL7806593

SCHEMBL7806593

Clc1[c]c(Cl)c(Cc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AB1 P08238 1/20 0.35
IDO1 P14902 2/20 0.34
DAO P14920 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAOB P27338 1/20 0.32
LMNA P02545 2/20 0.31
AGXT P21549 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7806594 0.76 MAOB (0.44) KMT2AMEN1MAPTSLC6A4ALDH1A1
SCHEMBL7829968 0.71 HSP90AB1 (0.46) KMT2AMEN1MAPTSLC6A4ALDH1A1
SCHEMBL3540407 0.69 MEN1 (0.46) KMT2AMEN1MAPTSLC6A4ALDH1A1
SCHEMBL11254330 0.68 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1IDO1
SCHEMBL1106684 0.67 IDO1 (0.58) KMT2AMEN1MAPTSLC6A4ALDH1A1
SCHEMBL7836753 0.67 HSP90AB1 (0.39) KMT2AMEN1MAPTSLC6A4ALDH1A1
SCHEMBL5467702 0.66 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1HSP90AB1IDO1
SCHEMBL9192605 0.65 KMT2A (0.47) KMT2AMEN1MAPTSLC6A4IDO1
SCHEMBL7840421 0.64 CYP1A2 (0.51) KMT2AMEN1MAPTALDH1A1IDO1
SCHEMBL9185748 0.63 KMT2A (0.43) KMT2AMEN1MAPTSLC6A4HSP90AB1

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
EP-1091941-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
US-6124463-A TREATMENT OF AFFECTIVE DISORDER, ANXIETY OR DEPRESSION DUPONT PHARMACEUTICALS (US) 2000-09-26 US disclosed
WO-2000001675-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-13 WO disclosed