SCHEMBL11229499

SCHEMBL11229499

CCCC(=O)Oc1cc(N)c(Cl)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
CA2 P00918 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL11321891 0.90 KMT2A (0.41) ALDH1A1KMT2AKDM4ECA2ALOX15
SCHEMBL11226606 0.89 KMT2A (0.44) ALDH1A1KMT2ACA2ALOX15HPGD
SCHEMBL11318429 0.87 KMT2A (0.46) ALDH1A1KMT2ACA2ALOX15LMNA
SCHEMBL11225847 0.86 ESR1 (0.46) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL28758016 0.82 BCL9 (0.48) BCL9CTNNB1ALDH1A1KMT2AKDM4E
SCHEMBL13228832 0.81 BCL9 (0.55) BCL9CTNNB1ALDH1A1KMT2AKDM4E
SCHEMBL28601359 0.80 BCL9 (0.47) BCL9CTNNB1ALDH1A1KMT2AKDM4E
SCHEMBL13721468 0.80 BCL9 (0.47) BCL9CTNNB1ALDH1A1KMT2AKDM4E
SCHEMBL27399887 0.79 BCL9 (0.55) BCL9CTNNB1ALDH1A1KMT2AKDM4E
SCHEMBL27760958 0.79 BCL9 (0.51) BCL9CTNNB1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327204-A Process for producing polyurethane elastomer by mixing a hardener composition with an isocyanate composition IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-04-27 US disclosed
US-4246425-A FOR POLYURETHANE ELASTOMERS, AND PHARMACEUTICAL, AGROCHEMICAL INTERMEDIATE IHARA CHEMICAL INDUSTRY CO., LIMITED (JP) 1981-01-20 US disclosed