SCHEMBL10688902

SCHEMBL10688902

CC(C#N)(CO)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPSR1 Q6W5P4 2/20 0.41
CCR1 P32246 1/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.37
MIF P14174 1/20 0.36
CYP19A1 P11511 1/20 0.35
BCL2 P10415 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL1626918 0.82 ESR1 (0.44) ESR1ESR2KMT2AMEN1NPSR1
SCHEMBL16585402 0.81 ESR1 (0.47) ESR1ESR2KMT2AMEN1MAPK1
SCHEMBL10193733 0.81 ESR1 (0.43) ESR1ESR2KMT2AMEN1NPSR1
SCHEMBL10691514 0.81 ESR1 (0.43) ESR1ESR2KMT2AMEN1NPSR1
SCHEMBL15774978 0.81 ESR1 (0.47) ESR1ESR2KMT2AMEN1NPC1
SCHEMBL7886997 0.80 ESR1 (0.46) ESR1ESR2KMT2ANPSR1CCR1
SCHEMBL7863860 0.74 KMT2A (0.58) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL1807039 0.73 MEN1 (0.56) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL11319289 0.73 MEN1 (0.56) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL3413029 0.73 MEN1 (0.50) ESR1ESR2KMT2AMEN1NPSR1

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
EP-0261073-A2 Insecticidal and acaricidal alkane and alkoxy alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-23 EP disclosed
CN-87105707-A Desinsection and the alkane and the alkoxy derivatives alkane that kill mite 1988-03-09 CN disclosed
US-4225723-A Process for the preparation of substituted arylcyanoalkyl and diaryl cyanoalkylimidazoles ROHM AND HAAS COMPANY (US) 1980-09-30 US disclosed
US-4143137-A SUBSTITUTED ARYLCYANOALKYL AND DIARYLCYANOALKYLIMIDAZOLE METAL SALT COMPLEXES AND FUNGICIDAL COMPOSITIONS AND METHODS UTILIZING THEM ROHM AND HAAS COMPANY (US) 1979-03-06 US disclosed
US-4073921-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-02-14 US disclosed