SCHEMBL21241024

SCHEMBL21241024

CCc1cc(C(F)(F)F)cc(C)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.45
LMNA P02545 3/20 0.45
USP2 O75604 1/20 0.42
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
GLA P06280 4/20 0.39
GAA P10253 3/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
UPP1 Q16831 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL13868312 0.82 KDM4E (0.43) KDM4ELMNAALDH1A1HPGDGLA
SCHEMBL15958871 0.76 TRPV4 (0.42) KDM4ELMNAALDH1A1HPGDGLA
SCHEMBL22695033 0.75 RXRA (0.39) TDP1RXRARXRBRXRG
SCHEMBL24854679 0.74 KDM4E (0.43) KDM4ELMNAUSP2ALDH1A1HPGD
SCHEMBL20186996 0.74 KDM4E (0.43) KDM4ELMNAUSP2ALDH1A1HPGD
SCHEMBL16483020 0.74 KDM4E (0.46) KDM4ELMNAUSP2ALDH1A1HPGD
SCHEMBL10225858 0.73 SIGMAR1 (0.39) RXRARXRBRXRG
SCHEMBL23557907 0.72 ALDH1A1 (0.46) ALDH1A1TP53POLBTDP1RXRA
SCHEMBL21667290 0.71 KDM4E (0.43) KDM4ELMNAUSP2ALDH1A1HPGD
SCHEMBL25991271 0.70 KDM4E (0.43) KDM4EALDH1A1HPGDGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed