SCHEMBL8404853

SCHEMBL8404853

Nc1ccc(-c2nc(CS(=O)(=O)CCO)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
NOTUM Q6P988 2/20 0.44
ACHE P22303 2/20 0.44
HDAC6 Q9UBN7 4/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
BCHE P06276 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 5/20 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
SCHEMBL7569714 0.85 ALDH1A1 (0.45) MEN1LMNAPOLBKMT2ANOTUM
SCHEMBL8399931 0.82 NPC1 (0.48) MEN1LMNAPOLBKMT2ANOTUM
SCHEMBL7564976 0.73 ALDH1A1 (0.61) MEN1LMNAPOLBKMT2ANOTUM
SCHEMBL25914397 0.70 HDAC6 (0.48) MEN1LMNAPOLBKMT2ANOTUM
SCHEMBL1202589 0.69 RECQL (0.46) LMNAPOLBKMT2AALDH1A1CA2
SCHEMBL20409773 0.69 NPC1 (0.71) MEN1LMNAKMT2ANOTUMACHE
SCHEMBL25914392 0.69 NOTUM (0.65) MEN1LMNAPOLBKMT2ANOTUM
SCHEMBL1272321 0.68 NOTUM (0.58) MEN1LMNAPOLBKMT2ANOTUM
SCHEMBL5334470 0.68 ACHE (0.56) LMNANOTUMACHEBCHENPC1
SCHEMBL7562885 0.68 CHUK (0.39) NOTUMACHEBCHENPC1RAB9A

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-0842163-B1 BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP BASF AG (DE) 1999-11-03 EP disclosed
US-5886187-A Benzene derivatives having a heterocyclic radical BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed