SCHEMBL13611751

SCHEMBL13611751

CCC(=O)Nc1cccc(Cn2cnc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
NR4A1 P22736 1/20 0.48
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.47
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL13604352 0.88 MEN1 (0.55) RAB9APOLBNR4A1PARP1ALDH1A1
SCHEMBL4484577 0.81 SIRT2 (0.48)
SCHEMBL13604570 0.77 SIRT2 (0.41) PARP1SMN1; SMN2
SCHEMBL9410518 0.74 MAPT (0.69) RAB9APOLBNR4A1MAPK1HPGD
SCHEMBL3815593 0.72 RAB9A (0.65) RAB9APOLBNR4A1MAPK1HPGD
SCHEMBL4477317 0.72 CYP11B1 (0.55)
SCHEMBL25583831 0.72 CYP11B1 (0.55) RAB9AL3MBTL1ALDH1A1NPC1KMT2A
SCHEMBL6528673 0.72 PHF8 (0.57) POLBHPGDL3MBTL1GAAALDH1A1
SCHEMBL10970617 0.72 RAB9A (0.85) RAB9APOLBNR4A1MAPK1L3MBTL1
SCHEMBL24690443 0.71 POLB (0.63) RAB9APOLBNR4A1MAPK1HPGD

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
US-7635697-B2 Farnesyl protein transferase inhibitors and methods for treating proliferative diseases SCHERING CORPORATION (US) 2009-12-22 US disclosed