SCHEMBL8358172

SCHEMBL8358172

CCN(CC)CCOc1ccc2nc(Sc3ccc(Cl)cc3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
CTSD P07339 12/20 0.49
ACHE P22303 1/20 0.47

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
SCHEMBL8361573 0.95 LMNA (0.53) LMNACYP1A2CYP2D6HTTKMT2A
SCHEMBL8361495 0.95 LMNA (0.53) LMNACYP1A2CYP2D6HTTKMT2A
SCHEMBL8357715 0.93 LMNA (0.52) LMNACYP1A2CYP2D6HTTKMT2A
SCHEMBL8357950 0.90 LMNA (0.60) LMNACYP1A2CYP2D6HTTKMT2A
SCHEMBL8361507 0.89 LMNA (0.59) LMNACYP1A2CYP2D6HTTKMT2A
SCHEMBL8361580 0.89 LMNA (0.61) LMNACYP1A2CYP2D6HTTKMT2A
SCHEMBL8548820 0.88 MAPT (0.48) LMNACYP1A2CYP2D6KMT2AMAPT
SCHEMBL8357707 0.87 MAPT (0.51) LMNACYP1A2CYP2D6KMT2AMAPT
SCHEMBL8358089 0.87 LMNA (0.56) LMNACYP1A2CYP2D6HTTKMT2A
SCHEMBL8361572 0.85 KMT2A (0.50) KMT2AMAPTMEN1NPC1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 EP claimed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 WO claimed
US-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed
EP-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 EP disclosed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 WO disclosed