SCHEMBL7581735

SCHEMBL7581735

C1=CCC2Nc3ccccc3SC2=C1.[KH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
NOX1 Q9Y5S8 2/20 0.36
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4937238 0.97 MEN1 (0.40) MEN1KMT2ANPC1GAAMAPT
SCHEMBL18890497 0.97 MEN1 (0.40) MEN1KMT2ANPC1GAAMAPT
Hydrochloric Acid SCHEMBL11685389 0.95 MEN1 (0.39) MEN1KMT2ANPC1GAAMAPT
SCHEMBL4931900 0.91 MEN1 (0.36) MEN1KMT2ANPC1GAAMAPT
Acetic Acid SCHEMBL8158380 0.87 MEN1 (0.34) MEN1KMT2ANPC1GAAMAPT
SCHEMBL4938764 0.71
SCHEMBL9429297 0.69
SCHEMBL709998 0.69
SCHEMBL12319503 0.68 KDM4E (0.33) MEN1KMT2ANPC1GAAMAPT
SCHEMBL17146543 0.68 KDM4E (0.33) MEN1KMT2ANPC1GAAMAPT

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-1074552-B1 Process for the preparation of a highly pure phenothiazine compound SUMIKA FINE CHEMICALS CO LTD (JP) 2002-10-09 EP disclosed
US-6433168-B1 CHEMICAL INTERMEDIATE FOR MEQUITAZINE; ANTIHISTAMINES SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-08-13 US disclosed
EP-1074552-A2 Process for the preparation of a highly pure phenothiazine compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-02-07 EP disclosed