SCHEMBL7365557

SCHEMBL7365557

CN(C)C(=O)c1ccc(-c2nnc(=O)c3ccc[nH]c2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ATR Q13535 1/20 0.46
CECR2 Q9BXF3 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
KDM5B Q9UGL1 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
JAK3 P52333 1/20 0.38
TAF1 P21675 2/20 0.38
CYP3A4 P08684 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL7367836 0.83 IKBKB (0.42) ALDH1A1HTT
SCHEMBL7364007 0.82 IDO1 (0.48) MAPTALDH1A1HPGDKDM5BKDM4E
SCHEMBL9375926 0.81 MEN1 (0.46) MAPTNCOA1NCOA3ATRALDH1A1
SCHEMBL7369411 0.80 RAB9A (0.42) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7368926 0.76 CDK4 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL7363579 0.73 MAPT (0.49) MAPTNCOA1NCOA3ATRCECR2
SCHEMBL7365581 0.73 CDK8 (0.48) ALDH1A1HPGDKDM5BPDK2
SCHEMBL7361974 0.71 NR4A2 (0.36) MEN1KMT2A
SCHEMBL7370627 0.69 MAOB (0.51) ALDH1A1HPGDKMT2AKDM5BKDM4E
SCHEMBL7366344 0.69 MAOB (0.50) MAPTALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed