SCHEMBL9768809

SCHEMBL9768809

CC(=NNC(=O)O)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MITF O75030 2/20 0.69
AGTR1 P30556 7/20 0.65
NPC1 O15118 7/20 0.65
RAB9A P51151 5/20 0.65
OPRK1 P41145 6/20 0.63
KMT2A Q03164 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HTT P42858 2/20 0.63
MEN1 O00255 2/20 0.63
PKM P14618 1/20 0.63
TOP2A P11388 2/20 0.63
POLB P06746 1/20 0.62
GAA P10253 4/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL9768802 1.00 LMNA (0.69) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL12720817 0.87 NPC1 (0.76) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL5526339 0.85 NPC1 (0.63) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL29378716 0.85 NPC1 (0.63) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL10807644 0.82 LMNA (0.81) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL14938598 0.82 LMNA (0.60) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL14950351 0.82 LMNA (0.60) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL27178209 0.82 NPC1 (0.74) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL27178215 0.82 NPC1 (0.74) LMNASMN1; SMN2MITFAGTR1NPC1
SCHEMBL19449853 0.81 TOP2A (0.65) LMNASMN1; SMN2MITFAGTR1NPC1

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-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 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