SCHEMBL9769007

SCHEMBL9769007

CC(=NN)c1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.50
▸ DGAT1 O75907 2/20 0.46
▸ ADRA2A P08913 2/20 0.43
▸ ADRA2B P18089 2/20 0.43
▸ ADRA2C P18825 2/20 0.43
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ IDO1 P14902 3/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ GAA P10253 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
SCHEMBL594629 0.82 NAPRT (0.52) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL594630 0.82 NAPRT (0.52) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL23845464 0.78 NAPRT (0.52) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL9768906 0.78 HDAC1 (0.47) ADRA2AADRA2BADRA2CRAB9ASMN1; SMN2
SCHEMBL7852340 0.78 DGAT1 (0.47) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL5089260 0.78 DGAT1 (0.47) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL5272361 0.77 NAPRT (0.59) NAPRTDGAT1RAB9ASMN1; SMN2IDO1
SCHEMBL29592337 0.74 NAPRT (0.67) NAPRTDGAT1RAB9ASMN1; SMN2EGFR
SCHEMBL19724261 0.74 DGAT1 (0.59) NAPRTDGAT1RAB9ASMN1; SMN2IDO1
SCHEMBL5700195 0.74 NAPRT (0.55) NAPRTDGAT1RAB9ASMN1; SMN2IDO1

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
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