SCHEMBL7445649

SCHEMBL7445649

CCOC(=O)CC(=O)N(C)CC(C)(C(=O)N1CCCC1)c1ccc2[nH]c(CCNc3ccc(C#N)cc3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 2/20 0.37
P2RY12 Q9H244 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
FASN P49327 6/20 0.31
PIN1 Q13526 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3B P49841 1/20 0.31
CSNK1G2 P78368 1/20 0.31
GNRHR P30968 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
HSD17B10 Q99714 1/20 0.30
USP14 P54578 1/20 0.30

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
SCHEMBL7421110 0.88 MLLT1 (0.38) MLLT1P2RY12MAPTNPC1ALDH1A1
SCHEMBL7446447 0.85 F2 (0.40) MLLT1P2RY12MAPTNPC1ALDH1A1
SCHEMBL7450500 0.85 MLLT1 (0.39) MLLT1P2RY12MAPTNPC1ALDH1A1
SCHEMBL7447512 0.83 MLLT1 (0.37) MLLT1P2RY12MAPTNPC1ALDH1A1
SCHEMBL7414753 0.81 F2 (0.49) NPC1RAB9AF2F10
SCHEMBL7422210 0.80 F2 (0.40) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL7447141 0.77 MLLT1 (0.37) MLLT1P2RY12MAPTNPC1ALDH1A1
SCHEMBL7442317 0.73 F2 (0.54) MLLT1MAPTNPC1ALDH1A1LMNA
SCHEMBL7449396 0.71 MAPT (0.37) MLLT1P2RY12MAPTNPC1ALDH1A1
SCHEMBL7453719 0.71 F2 (0.42) F2F10

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-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed