SCHEMBL9726518

SCHEMBL9726518

Cc1ccc(CNc2cnn(C(C)C)c(=O)c2C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.51
BRD9 Q9H8M2 8/20 0.51
KAT2B Q92831 1/20 0.41
PDE9A O76083 4/20 0.40
BRPF1 P55201 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR2 P34972 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
BPTF Q12830 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL10601357 0.88 BRD4 (0.41) BRD4BRD9KAT2BPDE9AKDM4E
SCHEMBL9726532 0.81 BRD4 (0.52) BRD4BRD9KAT2BBRPF1BRD7
SCHEMBL9726549 0.72 NR3C1 (0.44) BRD4BRD9KAT2BBRPF1BRD7
SCHEMBL10602234 0.72 BRD4 (0.54) BRD4BRD9KAT2BALDH1A1CNR2
SCHEMBL10602679 0.72 NR3C1 (0.44) BRD4BRD9KAT2BKDM4EALDH1A1
SCHEMBL9726558 0.71 PDE9A (0.49) BRD4BRD9PDE9ABPTFSMN1; SMN2
SCHEMBL10599280 0.70 BRD4 (0.70) BRD4BRD9KAT2BPDE9AALDH1A1
SCHEMBL9726397 0.69 KDM4E (0.45) BRD4BRD9PDE9AKDM4EALDH1A1
SCHEMBL10601213 0.69 BRD4 (0.73) BRD4BRD9KAT2BPDE9AALDH1A1
SCHEMBL9726861 0.68 POLB (0.41) BRD4BRD9PDE9AKDM4EALDH1A1

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-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed