SCHEMBL6814044

SCHEMBL6814044

COc1cc(F)ccc1OCC#Cc1ccc(C=O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
FDPS P14324 1/20 0.37
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ENPP2 Q13822 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 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
SCHEMBL7067498 0.78 MAPT (0.36) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL6598860 0.68 MEN1 (0.50) MEN1KMT2APOLBHPGDKDM4E
SCHEMBL29679102 0.68 MEN1 (0.50) MEN1KMT2APOLBHPGDKDM4E
SCHEMBL7266190 0.68 GRM5 (0.39) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6597369 0.68 GRM5 (0.57) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL6596154 0.68 GRM5 (0.40) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL6603575 0.67 CHRNB2 (0.44) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL15653563 0.66 IKBKB (0.45)
SCHEMBL12129028 0.64 KDM4E (0.59) ALDH1A1HPGDKDM4ETDP1TUBB1
SCHEMBL2838672 0.64 FDPS (0.67) ALDH1A1MEN1KMT2APOLBHPGD

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-2004002981-A2 HERBICIDAL THIENYLALKYNES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed