SCHEMBL31168407

SCHEMBL31168407

COC(=O)/C=C/c1ncc(Cl)cc1O.COC(=O)CCc1ncc(Cl)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TTR P02766 1/20 0.35
▸ APP P05067 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ CYP11B1 P15538 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
SCHEMBL31168685 0.86 EGFR (0.48) EGFRKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL31168657 0.86 TTR (0.45) KDM4EKMT2ASMN1; SMN2TTRAPP
SCHEMBL31168468 0.74 AKR1C3 (0.40) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL15744783 0.72 KDM4E (0.41) KDM4EKMT2ASMN1; SMN2TTRAPP
SCHEMBL31168612 0.71 KDM4E (0.41) EGFRKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL31168605 0.70 TTR (0.45) KDM4EKMT2ASMN1; SMN2TTRAPP
SCHEMBL31168603 0.70 AGBL2 (0.42) EGFRKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3310811 0.63 NFE2L2 (0.47) KDM4EKMT2ASMN1; SMN2TTRAPP
SCHEMBL125390 0.62 KDM4E (0.40) EGFRKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL18911298 0.62 ALDH1A1 (0.42) KDM4ETDP1ALDH1A1HPGDHSD17B10

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-2024216164-A1 N2-((5-HYDROXY)-2-PYRIDYL)-PYRIDINE-2,4-DIAMINE DERIVATIVES AS EHMT1/2 MODULATORS FOR THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2024-10-17 — — WO disclosed
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