SCHEMBL31168612

SCHEMBL31168612

COC(=O)CCc1ncc(C)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ ATM Q13315 1/20 0.39
▸ VEGFA P15692 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ EGLN3 Q9H6Z9 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ TSHR P16473 3/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL31168603 0.83 AGBL2 (0.42) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL31168685 0.83 EGFR (0.48) KDM4EVEGFAFLT1EGLN1EGLN3
SCHEMBL28801471 0.77 AGBL2 (0.42) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL31168468 0.76 AKR1C3 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL125390 0.74 KDM4E (0.40) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL15054566 0.74 ALDH1A1 (0.42) KDM4EATMHSD17B10ALDH1A1HPGD
SCHEMBL8825478 0.73 ALDH1A1 (0.53) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL1915182 0.73 ATM (0.41) KDM4EATMVEGFAFLT1EGLN1
SCHEMBL31168484 0.71 GCK (0.36) KDM4ESMN1; SMN2MAPT
SCHEMBL31168407 0.71 EGFR (0.39) KDM4EEGLN1HSD17B10ALDH1A1HPGD

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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