SCHEMBL13604331

SCHEMBL13604331

CC(=O)Nc1cccc(Cn2cncc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
BRD4 O60885 1/20 0.50
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
NR4A1 P22736 1/20 0.43
RAB9A P51151 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL4480475 0.83 SIRT2 (0.46) BRD4SIRT2CYP17A1
SCHEMBL5928116 0.81 POLB (0.48) POLBRAB9AALDH1A1
SCHEMBL13604730 0.80 CYP11B1 (0.46) MEN1TSHRKMT2ABRD4MAPT
SCHEMBL13604333 0.80 MEN1 (0.59) MEN1TSHRKMT2ABRD4MKNK1
SCHEMBL13604582 0.78 PARP1 (0.39) SIRT2
SCHEMBL13604334 0.77 KMT2A (0.62) MEN1TSHRKMT2ABRD4MKNK1
SCHEMBL13604350 0.75 MEN1 (0.63) MEN1TSHRKMT2ABRD4MAPT
SCHEMBL13604352 0.74 MEN1 (0.55) MEN1TSHRKMT2ABRD4MKNK1
SCHEMBL10391003 0.73 ALDH1A1 (0.58) MEN1TSHRKMT2ANPSR1HSD17B10
SCHEMBL6496747 0.72 CYP11B1 (0.63) MAPTPOLBCYP11B1CYP11B2CYP1A2

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