SCHEMBL9846124

SCHEMBL9846124

CCc1cc(NCc2ccc(C)c(C)c2)c(=O)[nH]c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.40
ROCK2 O75116 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKACA P17612 1/20 0.40
AKT1 P31749 1/20 0.40
MATK P42679 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
RPS6KA3 P51812 1/20 0.40
NEK4 P51957 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
AURKB Q96GD4 1/20 0.40
CSNK1G3 Q9Y6M4 1/20 0.40
LMNA P02545 5/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL9432629 0.83 MEN1 (0.47) MAPTCYP1A2MEN1KMT2AKDM4E
SCHEMBL27337641 0.82 POLB (0.49) LMNAMAPTL3MBTL1POLBMEN1
SCHEMBL9846085 0.81 POLB (0.34) RPS6KB1MAPTPOLBKMT2AGAA
SCHEMBL9168694 0.76 PDE3B (0.42) LMNAMAPTL3MBTL1MEN1KMT2A
SCHEMBL9164330 0.76 MAPT (0.41) LMNAMAPTL3MBTL1POLBMEN1
SCHEMBL27925718 0.75 ABCB1 (0.43) RPS6KB1ROCK2CHEK2PRKACAAKT1
SCHEMBL9846107 0.75 PDE3B (0.41) LMNAMAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL6367001 0.73 KMT2A (0.35) LMNAMAPTNPC1RAB9ACYP1A2
SCHEMBL9170296 0.72 KDM4E (0.44) MAPTCYP1A2CYP3A4POLBGAA
SCHEMBL9846165 0.72 PDE3B (0.41) LMNAMAPTL3MBTL1MEN1KMT2A

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed