SCHEMBL29956044

SCHEMBL29956044

O=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
GRIN2D O15399 5/20 0.40
GRIN3B O60391 5/20 0.40
GRIN1 Q05586 5/20 0.40
GRIN2A Q12879 5/20 0.40
GRIN2B Q13224 5/20 0.40
GRIN2C Q14957 5/20 0.40
GRIN3A Q8TCU5 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1626244 1.00 CA12 (0.41) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL29363428 0.77 LMNA (0.51) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL29878739 0.77 ALOX15 (0.54) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL1144239 0.77 ALOX15 (0.54) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL22898794 0.77 LMNA (0.51) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL29958271 0.75 ERN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24522320 0.74 KDM4E (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL16920112 0.74 PIM1 (0.46) ALDH1A1KMT2ALMNACYP1A2MAPT
SCHEMBL24522294 0.74 KDM4E (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29950892 0.74 CCNB2 (0.53) MEN1KMT2ATDP1CCNB2CDK1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed