SCHEMBL8357751

SCHEMBL8357751

CCOc1ccc2nc(Sc3ccc(C#N)cc3)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
CYP3A4 P08684 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
PPARA Q07869 3/20 0.52
HTT P42858 2/20 0.52
CTSD P07339 5/20 0.52
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL8358089 0.86 LMNA (0.56) MAPTALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL11590891 0.84 KMT2A (0.59) MAPTALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL8358196 0.84 MAPT (0.71) MAPTALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL8356256 0.84 KMT2A (0.65) MAPTALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL8361511 0.84 MAPT (0.63) MAPTALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL6902202 0.84 MAPT (0.66) MAPTALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL8355805 0.81 MAPT (0.55) MAPTALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL8362058 0.80 PTPN1 (0.60) MAPTALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL6689290 0.78 PDK1 (0.69) MAPTALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL8361485 0.78 CYP2C9 (0.45) MAPTL3MBTL1CYP3A4KMT2ANPC1

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
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