SCHEMBL7752964

SCHEMBL7752964

CC(CC(=O)Nc1ccc(N)cc1C(=O)c1ccccc1)CC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7753270 0.83 LMNA (0.52) SMN1; SMN2HTTALDH1A1POLBMAPT
SCHEMBL7752940 0.81
SCHEMBL7752928 0.81
SCHEMBL6546897 0.76 MEN1 (0.52) PKMMAPK1ALDH1A1POLB
SCHEMBL6812211 0.75 CASP1 (0.57) SMN1; SMN2PKMTP53HTTNPSR1
SCHEMBL7755341 0.74 MAPK1 (0.56) SMN1; SMN2PKMMAPK1TP53HTT
SCHEMBL6545622 0.74 CYP1A2 (0.54) HTTNPSR1ALDH1A1MAPTCYP1A2
SCHEMBL7753891 0.74 ABCB1 (0.57) SMN1; SMN2MAPK1HTTALDH1A1POLB
SCHEMBL7752909 0.74 MAPT (0.68) SMN1; SMN2PKMMAPK1TP53NPSR1
SCHEMBL6546175 0.74 PKM (0.55) PKMALDH1A1

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-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO disclosed