SCHEMBL5500799

SCHEMBL5500799

CCOC(=O)c1cccc(NC(=O)N[C@@H](CO)C(=O)NCC(=O)NC(=O)c2ccc(NC(=N)N)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
TSHR P16473 2/20 0.43
NAMPT P43490 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL6543172 0.99 NPSR1 (0.50) NPSR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5500284 0.93 KMT2A (0.48) RAB9ANPC1SMN1; SMN2KMT2AMAPT
Hydrochloric Acid SCHEMBL6543677 0.92 KMT2A (0.47) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL5497144 0.91 F7 (0.42) NPSR1RAB9ANPC1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6544339 0.90 F7 (0.42) NPSR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5493828 0.89 HPSE (0.47) NPSR1RAB9ANPC1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6544343 0.88 HPSE (0.47) NPSR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5498018 0.85 F7 (0.46) NPSR1RAB9ANPC1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6543529 0.85 F7 (0.46) NPSR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5497090 0.83 F7 (0.43) KMT2AMEN1F2F7GAA

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-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP disclosed