SCHEMBL7410290

SCHEMBL7410290

Cc1nc(-c2ccc(NCc3nc4c(C)c([C@@](C)(N)C(=O)N5CCCC5)ccc4[nH]3)cc2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MAPK14 Q16539 1/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
MGLL Q99685 1/20 0.35
HTT P42858 1/20 0.35
PLK1 P53350 1/20 0.34
MAPT P10636 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC1 Q13547 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
SMYD3 Q9H7B4 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
SCHEMBL7449699 0.83 MLLT1 (0.38) MAPK14LMNAMAPTNPC1ALDH1A1
SCHEMBL7101514 0.74 F2 (0.57) HDAC6NPC1ALDH1A1MAPK1RAB9A
SCHEMBL7101520 0.74 F2 (0.57) HDAC6NPC1ALDH1A1MAPK1RAB9A
SCHEMBL6457217 0.74 F2 (0.56) LMNAMAPTNPC1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7451035 0.73 F2 (0.56) LMNAMAPTNPC1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7448447 0.73 F2 (0.56) LMNAMAPTNPC1ALDH1A1MAPK1
SCHEMBL7450226 0.72 F2 (0.49) LMNAMAPTNPC1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7416820 0.71 F2 (0.47) LMNAMAPTNPC1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7445570 0.71 F2 (0.48) LMNAMAPTNPC1ALDH1A1MAPK1
SCHEMBL7442305 0.71 F2 (0.48) LMNAMAPTNPC1ALDH1A1MAPK1

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