SCHEMBL6563532

SCHEMBL6563532

N#Cc1ccc(NCC#Cc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 4/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
VNN1 O95497 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6565480 0.89 GSK3B (0.47) ALDH1A1LMNAVNN1SMN1; SMN2
SCHEMBL6563213 0.87 KMT2A (0.39) RAB9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL6565461 0.87 VNN1 (0.48) LMNAMEN1KMT2AVNN1MAPT
SCHEMBL6563651 0.86 MAPK13 (0.45) ALDH1A1RAB9AMAPK13MAPK12MAPK11
SCHEMBL7677085 0.86 VNN1 (0.46) VNN1EGLN1PTGDR2
SCHEMBL6564223 0.86 VNN1 (0.41) ALDH1A1RAB9AHPGDL3MBTL1MAPK13
SCHEMBL6565408 0.84 CNR1 (0.41) ALDH1A1RAB9AHPGDLMNAMEN1
SCHEMBL6565441 0.84 KMT2A (0.46) ALDH1A1RAB9AHPGDMEN1NPC1
SCHEMBL6563625 0.84 PRSS1 (0.43) ALDH1A1RAB9AHPGDL3MBTL1MAPK13
SCHEMBL28944597 0.84 GRM5 (0.47) ALDH1A1EGLN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed