SCHEMBL9768783

SCHEMBL9768783

CC(=NN)c1cccc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
P2RX7 Q99572 1/20 0.50
HKDC1 Q2TB90 1/20 0.46
DUSP3 P51452 1/20 0.43
PTPN11 Q06124 1/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
GRM5 P41594 2/20 0.43
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
METAP2 P50579 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL28971368 0.87 KDM4E (0.41) HSP90AA1P2RX7HKDC1RAB9AMEN1
SCHEMBL874802 0.82 HSP90AA1 (0.54) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL14877170 0.82 HSP90AA1 (0.54) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL3581561 0.82 HSP90AA1 (0.54) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL3708925 0.80 P2RX7 (0.50) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL3708926 0.80 P2RX7 (0.50) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL20181305 0.76 APLNR (0.40) HSP90AA1RAB9AMEN1KMT2AKDM4E
SCHEMBL247491 0.72 P2RX7 (0.60) HSP90AA1P2RX7NOS3NOS2GRM5
SCHEMBL8281251 0.72 P2RX7 (0.50) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL29590328 0.72 P2RX7 (0.60) HSP90AA1P2RX7NOS3NOS2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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