SCHEMBL7442673

SCHEMBL7442673

Cc1c(C(C)(NC(=O)OC(C)(C)C)C(=O)N2CCCC2)ccc2[nH]c(CNc3ccc(C#N)cc3)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.34
CACNA1B Q00975 3/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1C Q13936 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TGFBR1 P36897 1/20 0.32
IDH1 O75874 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL7447505 0.86 NPC1 (0.36) MLLT1DGAT2NPC1ALDH1A1LMNA
SCHEMBL7454489 0.85 NPC1 (0.38) MLLT1CACNA1BDGAT2NPC1ALDH1A1
SCHEMBL7446445 0.85 NPC1 (0.38) MLLT1CACNA1BDGAT2NPC1ALDH1A1
SCHEMBL7449699 0.85 MLLT1 (0.38) MLLT1DGAT2NPC1ALDH1A1LMNA
SCHEMBL7447136 0.84 ALDH1A1 (0.37) MLLT1CACNA1BDGAT2NPC1ALDH1A1
SCHEMBL6455288 0.80 MLLT1 (0.33) MLLT1CACNA1BCACNA1HCACNA1CDGAT2
SCHEMBL7421109 0.79 NPC1 (0.37) MLLT1DGAT2NPC1ALDH1A1LMNA
SCHEMBL7445643 0.78 NPC1 (0.35) MLLT1DGAT2NPC1ALDH1A1LMNA
SCHEMBL7674059 0.77 F2 (0.41) CACNA1BCACNA1HNPC1ALDH1A1LMNA
SCHEMBL7448201 0.76 EPHX2 (0.39) MLLT1DGAT2NPC1ALDH1A1LMNA

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