SCHEMBL21912966

SCHEMBL21912966

CC1=C\C=c2\oc3ccccc3\c2=C\C=C\1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOA P21397 2/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PGAM1 P18669 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL21101340 0.69 ALDH1A1 (0.35) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL24363546 0.69 KDM4E (0.32) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL23737366 0.69 KDM4E (0.32) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL23314339 0.69 KDM4E (0.32) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL23430369 0.63 KDM4E (0.36) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL23676600 0.63 ALDH1A1 (0.33) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL18711547 0.62 KDM4E (0.35) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL20982285 0.61 CA1 (0.35) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL21007436 0.60 KDM4E (0.33) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL16500762 0.60 KDM4E (0.40) KDM4EALDH1A1MAOAGLACYP3A4

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
EP-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 EP disclosed