SCHEMBL4727622

SCHEMBL4727622

CC(C)(C)OC(=O)Nc1ccsc1C=C(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.44
ATR Q13535 1/20 0.35
NPC1 O15118 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MIF P14174 1/20 0.33
LCK P06239 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
BRD9 Q9H8M2 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
SCHEMBL1680515 0.84 METAP1 (0.46) METAP1ATRNPC1CA1CA2
SCHEMBL14291444 0.79 ALDH1A1 (0.42) METAP1ATRNPC1CA1CA12
SCHEMBL9291119 0.77 METAP1 (0.50) METAP1ATRNPC1CA1CA2
SCHEMBL14510093 0.76 METAP1 (0.49) METAP1NPC1CA1CA12CA9
SCHEMBL437283 0.75 METAP1 (0.48) METAP1ATRNPC1CA1CA12
SCHEMBL395773 0.75 METAP1 (0.48) METAP1ATRNPC1CA1CA12
SCHEMBL11564693 0.75 METAP1 (0.48) METAP1ATRNPC1CA1CA2
SCHEMBL29960306 0.75 MAPT (0.42) METAP1CA1CA2CA12CA9
SCHEMBL29960699 0.75 MAPT (0.42) METAP1CA1CA2CA12CA9
SCHEMBL7461547 0.74 METAP1 (0.47) METAP1ATRNPC1CA1CA2

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
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed