SCHEMBL5758269

SCHEMBL5758269

COc1cc(NC(=O)C(C)C)ccc1C.Cc1ccc(NC(=O)C(C)C)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LMNA P02545 3/20 0.49
▸ GRM4 Q14833 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ TSHR P16473 1/20 0.46

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
SCHEMBL5755555 0.93 GRM4 (0.55) KMT2AGAAMEN1SMN1; SMN2NPC1
SCHEMBL5755596 0.88 KMT2A (0.69) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13390691 0.81 SMN1; SMN2 (0.61) KMT2ACYP1A2CYP2C9CYP2C19GAA
SCHEMBL12386255 0.77 GRM4 (0.60) KMT2AGAAMEN1SMN1; SMN2NPC1
SCHEMBL15678237 0.76 KMT2A (0.54) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9817876 0.76 GRM4 (0.58) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL6671177 0.75 HTT (0.58) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9313903 0.75 KMT2A (0.57) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8737928 0.75 POLB (0.61) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31184650 0.74 GRM4 (0.61) KMT2ACYP1A2CYP2C9CYP2C19MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487443-A4 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-12 — — EP disclosed
EP-1487443-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-12-22 — — EP disclosed
WO-2003075924-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 — — WO disclosed
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