SCHEMBL3130261

SCHEMBL3130261

O=CCc1cc(Nc2nc(-c3cccnc3)cs2)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.62
KMT2A Q03164 12/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 6/20 0.54
NPC1 O15118 6/20 0.54
POLB P06746 1/20 0.54
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
MAPK1 P28482 1/20 0.50
PTGS2 P35354 1/20 0.50
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL3128687 0.92 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL3128668 0.84 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL27810963 0.83 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL209002 0.83 MEN1 (0.86) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL3125441 0.82 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL3130254 0.81 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL27810962 0.79 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL3131442 0.77 PTGES (0.51) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL3131583 0.75 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL3130156 0.75 PTGES (0.43) MEN1KMT2AMAPTALDH1A1RAB9A

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
EP-2164846-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS. Achillion Pharmaceuticals, Inc. (US) 2010-03-24 EP claimed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 WO claimed