SCHEMBL11276408

SCHEMBL11276408

N#Cc1cnn(-c2c(Cl)cc(Br)cc2Br)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ABL1 P00519 1/20 0.40
KDR P35968 1/20 0.40
XDH P47989 2/20 0.40
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL11268556 0.93 KMT2A (0.47) KMT2AKDM4EMEN1ABL1KDR
SCHEMBL10344673 0.90 KMT2A (0.49) KMT2AKDM4EMEN1ABL1KDR
SCHEMBL11283693 0.89 KMT2A (0.43) KMT2AKDM4EMEN1ABL1KDR
SCHEMBL11283714 0.84 KMT2A (0.47) KMT2AKDM4EMEN1ABL1KDR
SCHEMBL7961959 0.81 KMT2A (0.49) KMT2AKDM4EMEN1KDRXDH
SCHEMBL839600 0.81 KMT2A (0.49) KMT2AKDM4EMEN1ABL1KDR
SCHEMBL17176676 0.78 KMT2A (0.57) KMT2AKDM4EMEN1ABL1KDR
SCHEMBL10618127 0.78 KMT2A (0.47) KMT2AKDM4EMEN1ABL1KDR
SCHEMBL10992903 0.76 KMT2A (0.53) KMT2AKDM4EMEN1ABL1KDR
SCHEMBL8026458 0.75 GABRA2 (0.54) KMT2AKDM4EMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053678-A1 5-Amino-1-phenyl-4-cyano pyrazoles, herbicides containing them, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1982-06-16 EP claimed
EP-0053678-A1 5-Amino-1-phenyl-4-cyano pyrazoles, herbicides containing them, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1982-06-16 EP disclosed