SCHEMBL7809405

SCHEMBL7809405

CCC(Cn1cncn1)(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
HSP90AA1 P07900 1/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8919816 0.89 ALDH1A1 (0.50) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL7801361 0.89 KMT2A (0.53) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL7801298 0.83 LMNA (0.47) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL11190014 0.82 KMT2A (0.56) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL11069090 0.81 KMT2A (0.59) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL7801362 0.81 ALDH1A1 (0.51) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL8921789 0.79 ALDH1A1 (0.56) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL7810365 0.79 KMT2A (0.44) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL9122852 0.78 CYP3A4 (0.48) KMT2AALDH1A1CYP3A4HTTMAPT
SCHEMBL9430068 0.78 ALDH1A1 (0.48) KMT2AALDH1A1CYP3A4HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576201-B1 Fungicidal 1,2,4-triazoles ROHM & HAAS (US) 2001-08-16 EP disclosed
EP-0576199-B1 Fungicidal and herbicidal triazoles ROHM & HAAS (US) 2001-08-01 EP disclosed
US-5624916-A Fungicidal 1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1997-04-29 US disclosed
US-5462931-A Controlling phytopathogens ROHM AND HAAS COMPANY (US) 1995-10-31 US disclosed
US-5397768-A 1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1995-03-14 US disclosed
US-5358939-A For applying to soils, seeds, plants, or for storage of cereal grains ROHM AND HAAS COMPANY (US) 1994-10-25 US disclosed
CN-1081674-A Sterilant 1,2, the 4-triazole compounds ROHM & HAAS (US) 1994-02-09 CN disclosed
EP-0576199-A2 Fungicidal and herbicidal triazoles ROHM AND HAAS COMPANY (US) 1993-12-29 EP disclosed
EP-0576201-A2 Fungicidal 1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1993-12-29 EP disclosed
US-5264415-A 1,2,4-Triazole derivatives ROHM AND HAAS COMPANY (US) 1993-11-23 US disclosed