SCHEMBL9768975

SCHEMBL9768975

O=C(c1cccnc1C1COCOC1)c1cccnc1C1COCOC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAPRT Q6XQN6 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX7 Q99572 7/20 0.33
OPRL1 P41146 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL2428000 0.81 OPRL1 (0.42) OPRL1
SCHEMBL1116651 0.81 PARP1 (0.46) KDM4ETDP1ALDH1A1MAPTNAPRT
SCHEMBL9768980 0.74 TRIM24 (0.43) KDM4ETDP1ALDH1A1BLMNPSR1
SCHEMBL28837053 0.73 PARP1 (0.42) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL22717407 0.70 KDM4E (0.47) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL29574495 0.70 KDM4E (0.47) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL23012187 0.69 KDM4E (0.55) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL29703874 0.69 KDM4E (0.55) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL5083476 0.69 OPRL1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2395933 0.68 PARP1 (0.50) KDM4ETDP1ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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