SCHEMBL9012531

SCHEMBL9012531

COC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OC4CC(C)CC(C)(C)C4)cc3)nc(Nc3ccc(C(=O)OC4CC(C)CC(C)(C)C4)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 17/20 0.56
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL9590366 1.00 IDH1 (0.56) IDH1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL9012418 0.97 LMNA (0.53) IDH1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL6910054 0.83 LMNA (0.68) IDH1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL6910053 0.83 LMNA (0.68) IDH1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL6910050 0.83 LMNA (0.68) IDH1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL6909186 0.83 LMNA (0.68) IDH1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL6909183 0.83 LMNA (0.68) IDH1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL3221159 0.80 LMNA (0.47) IDH1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL13894203 0.77 LMNA (0.71) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL13227847 0.76 KMT2A (0.78) ALDH1A1KDM4EMEN1HPGDKMT2A

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
EP-0517104-B1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA SPA (IT) 1996-11-27 EP claimed
EP-0517104-A1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA S.p.A (IT) 1992-12-09 EP claimed