SCHEMBL18870394

SCHEMBL18870394

COc1ccc(-c2nc3c(Cl)nc(Cl)nc3n2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ TSPO P30536 1/20 0.36
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CNR2 P34972 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
SCHEMBL28293678 0.84 ADORA3 (0.46) KDM4EALDH1A1HPGDPARP1PTGS1
SCHEMBL18832291 0.80 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18870687 0.76 HTT (0.49) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL4058506 0.69 ADORA3 (0.59) KMT2AKDM4EALDH1A1HPGDPARP1
SCHEMBL30677327 0.68 XDH (0.54) MEN1KMT2AALDH1A1PTGS1PTGS2
SCHEMBL1070489 0.66 PDE8B (0.57) KDM4EALDH1A1HPGDMAPTCCNE2
SCHEMBL3821565 0.66 YTHDC1 (0.57) MEN1KMT2AHPGDCCNE2CCNE1
SCHEMBL5440560 0.65 CDK2 (0.43) MAPTSMN1; SMN2CCNE2CCNE1CDK2
SCHEMBL30677266 0.65 CYP1A2 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12325734 0.65 KDM4E (0.65) MEN1KMT2AKDM4EALDH1A1HPGD

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-3168224-A1 ORGANOZINC COMPOSITION Ludwig-Maximilians-Universität München (DE) 2017-05-17 — — EP disclosed
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