SCHEMBL7410295

SCHEMBL7410295

Cc1nc(-c2ccc(NCCc3nc4cc(C(N)CC(=O)N5CCCC5)ccc4[nH]3)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 6/20 0.37
DPP7 Q9UHL4 6/20 0.37
MAPK14 Q16539 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MGLL Q99685 1/20 0.35
DGAT1 O75907 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7449708 0.82 MLLT1 (0.42) DPP4DPP7
SCHEMBL7415371 0.79 F2 (0.46) LMNAHPGDMAPTTP53POLB
SCHEMBL6457229 0.67 F2 (0.41)
SCHEMBL7410290 0.66 JAK2 (0.36) LMNAHPGDMAPTDPP4DPP7
SCHEMBL7450007 0.64 HPGD (0.37) HPGDMAPTALDH1A1GAASMN1; SMN2
SCHEMBL6451890 0.64 F2 (0.60)
SCHEMBL6462435 0.63 ITGB3 (0.43) LMNAMAPTALDH1A1MAPK1
SCHEMBL7651866 0.63 DGAT1 (0.42) LMNAHPGDMAPTTP53POLB
SCHEMBL6455724 0.63 F2 (0.39) HPGD
SCHEMBL6450643 0.63 F2 (0.40) HPGD

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-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP disclosed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed