SCHEMBL6563325

SCHEMBL6563325

O=C(c1ccncc1)c1ccc(C#CCNc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
EGLN1 Q9GZT9 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 2/20 0.44
NPY5R Q15761 2/20 0.43
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLOD1 Q02809 1/20 0.43
HIF1A Q16665 1/20 0.43
GRM5 P41594 1/20 0.42
LTA4H P09960 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6563589 0.87 GALR3 (0.50) EGLN1PLOD2ALDH1A1CYP2C9CYP2C19
SCHEMBL7677130 0.85 PRSS1 (0.41) KMT2AMEN1NPSR1
SCHEMBL6564996 0.83 KMT2A (0.54) KMT2AMEN1EGLN1NPSR1HTT
SCHEMBL29712728 0.81 SMN1; SMN2 (0.50) KMT2AMEN1EGLN1HTTALDH1A1
SCHEMBL6563532 0.81 ALDH1A1 (0.44) KMT2AMEN1EGLN1NPSR1HTT
SCHEMBL6565403 0.81 HPGDS (0.54) KMT2AMEN1EGLN1HTTALDH1A1
SCHEMBL6565427 0.80 VNN1 (0.46) KMT2AMEN1EGLN1GRM5KCNK3
SCHEMBL6563625 0.79 PRSS1 (0.43) ALDH1A1HPGDLMNAMAPK13MAPK12
SCHEMBL28782860 0.79 CA1 (0.56) KMT2AMEN1EGLN1ALDH1A1CYP1A2
SCHEMBL11133426 0.77 PTPN11 (0.47) KMT2AMEN1EGLN1HTTALDH1A1

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 1 patent. 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