SCHEMBL5500372

SCHEMBL5500372

COc1ccc(NC(=O)N[C@@H](CO)C(=O)NCC(=O)NC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.49
F7 P08709 6/20 0.49
F10 P00742 2/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.46
CTDSP1 Q9GZU7 2/20 0.46
ANPEP P15144 1/20 0.45
PKM P14618 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
FPR2 P25090 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 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 SCHEMBL6544346 0.99 F2 (0.49) F2F7F10RAB9ANPC1
SCHEMBL5497090 0.89 F7 (0.43) F2F7F10KMT2AMEN1
SCHEMBL5493613 0.89 F7 (0.52) F2F7F10MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6543197 0.89 F7 (0.42) F2F7F10KMT2AMEN1
SCHEMBL5498873 0.88 SMO (0.42) F2F7F10FPR2KMT2A
Hydrochloric Acid SCHEMBL6543409 0.88 F7 (0.51) F2F7F10MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6543157 0.88 SMO (0.41) F2F7F10FPR2KMT2A
SCHEMBL5500284 0.87 KMT2A (0.48) RAB9ANPC1POLBKMT2AMAPT
Hydrochloric Acid SCHEMBL6543677 0.86 KMT2A (0.47) RAB9ANPC1POLBKMT2AMAPT
SCHEMBL5497144 0.84 F7 (0.42) F2F7F10RAB9ANPC1

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