SCHEMBL4729412

SCHEMBL4729412

CC(=O)c1ccc2c3ccccc3n(CCCN3CC(C)NC(C)C3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.72
SCARB1 Q8WTV0 4/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
ALDH1A1 P00352 2/20 0.72
TP53 P04637 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
ALOX15 P16050 1/20 0.72
TSHR P16473 1/20 0.72
HTR2A P28223 1/20 0.72
HTR2C P28335 1/20 0.72
MAPK1 P28482 1/20 0.72
CYP2C19 P33261 1/20 0.72
HTR2B P41595 1/20 0.72
HTT P42858 1/20 0.72
KDM4E B2RXH2 1/20 0.69
CNR2 P34972 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
Rimcazole SCHEMBL7414121 0.87 SIGMAR1 (0.85) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL7414118 0.87 SIGMAR1 (0.85) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL29710924 0.85 SIGMAR1 (1.00) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL3237432 0.85 SIGMAR1 (1.00) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL99084 0.85 SIGMAR1 (1.00) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL31395408 0.85 SIGMAR1 (1.00) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL122161 0.83 SIGMAR1 (0.97) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL6257536 0.83 SIGMAR1 (0.97) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL7410252 0.83 SIGMAR1 (0.97) SIGMAR1SCARB1MEN1KMT2AALDH1A1
Rimcazole SCHEMBL7407191 0.83 MEN1 (0.85) SIGMAR1SCARB1MEN1KMT2AALDH1A1

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed