SCHEMBL8667946

SCHEMBL8667946

[C]1=NC(C2=Nc3ccccc3CS2)C=CS1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL5729337 0.66 KMT2A (0.43) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL22782149 0.65 NPC1 (0.54) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3703843 0.61 NPC1 (0.51) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3022267 0.61 KMT2A (0.51) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL11706723 0.59 NPC1 (0.49) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5729334 0.57 NPC1 (0.46) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1255973 0.56
SCHEMBL11770529 0.56 RAB9A (1.00) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL564859 0.56 NPC1 (0.37) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL18537415 0.55 NPC1 (0.41) NPC1RAB9AKMT2AMEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876332-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR USE IN PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
WO-1997015552-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR USE IN PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed
US-5536734-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-16 US disclosed