SCHEMBL8433359

SCHEMBL8433359

CSc1cc(-n2ncc(C#N)c2N)nn1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 1/20 0.43
XDH P47989 2/20 0.39
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.34
ABL1 P00519 1/20 0.34
KDR P35968 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL8918728 0.77 KDM4E (0.45) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL7922246 0.76
SCHEMBL8434725 0.74 KMT2A (0.42) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL12062690 0.70 KMT2A (0.55) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL175251 0.69
SCHEMBL3433147 0.66 KMT2A (0.73) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL2743091 0.66 KMT2A (0.56) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL29142980 0.66 KMT2A (0.41) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL8433356 0.66 KMT2A (0.46) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL8919733 0.65 KMT2A (0.43) KMT2AKDM4EMEN1XDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869686-A Substituted pyrazole derivatives, processes for their preparation and their use as herbicides HOECHST SCHERING AGREVO GMBH (DE) 1999-02-09 US disclosed
EP-0663913-B1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-07-29 EP disclosed
US-5756424-A POTENTIATION HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US disclosed
US-5580986-A HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-12-03 US disclosed