SCHEMBL9768814

SCHEMBL9768814

Cc1cccc(C=NN)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GRM5 P41594 1/20 0.48
RAB9A P51151 1/20 0.48
GRM4 Q14833 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
Water SCHEMBL9768984 0.98 CTH (0.49) CTHMEN1KMT2AALDH1A1CYP3A4
Water SCHEMBL9768981 0.98 CTH (0.49) CTHMEN1KMT2AALDH1A1CYP3A4
SCHEMBL11690797 0.84 MAOB (0.36) CTHALDH1A1CYP3A4NPC1KDM4E
SCHEMBL24618676 0.81 CTH (0.51) CTHMEN1KMT2AALDH1A1CYP3A4
SCHEMBL26141585 0.81 CTH (0.51) CTHMEN1KMT2AALDH1A1CYP3A4
SCHEMBL68179 0.79 CTH (0.54) CTHMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1227091 0.79 CTH (0.54) CTHMEN1KMT2AALDH1A1CYP3A4
SCHEMBL77564 0.79 CTH (0.54) CTHMEN1KMT2AALDH1A1CYP3A4
SCHEMBL20124903 0.76 CTH (0.47) CTHMEN1KMT2AALDH1A1CYP3A4
SCHEMBL15931824 0.76 CTH (0.47) CTHMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US claimed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US disclosed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed