SCHEMBL10985992

SCHEMBL10985992

Cc1c(Cl)ccc(-n2ncc(C#N)c2N)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 1/20 0.47
XDH P47989 2/20 0.43
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
RXFP1 Q9HBX9 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
F2 P00734 1/20 0.37
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.35
ABL1 P00519 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 1/20 0.33
RECQL P46063 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
SCHEMBL10990616 0.90 KMT2A (0.50) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL10987939 0.89 KMT2A (0.49) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL10987859 0.89 KMT2A (0.49) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL9453060 0.87 KMT2A (0.50) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL10988284 0.86 KMT2A (0.47) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL10984434 0.86 KMT2A (0.47) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL10988245 0.86 KMT2A (0.49) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL10989759 0.85 KMT2A (0.48) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL10619481 0.84 KMT2A (0.50) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL838616 0.83 KMT2A (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US claimed
EP-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 EP disclosed
US-4505740-A Herbicidal 5-amino-4-cyano-1-phenyl-pyrazoles MAY & BAKER LIMITED (GB) 1985-03-19 US disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US disclosed
EP-0034945-A2 N-phenylpyrazole derivatives MAY & BAKER LIMITED (GB) 1981-09-02 EP disclosed