SCHEMBL7598707

SCHEMBL7598707

Cc1ccc2c(c1)c(C=O)c(C)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 3/20 0.55
USP2 O75604 1/20 0.55
NOD2 Q9HC29 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 4/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
APAF1 O14727 1/20 0.40

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
SCHEMBL10653862 0.84 MEN1 (0.56) POLBMEN1KMT2ARAB9AUSP2
SCHEMBL8503543 0.83 MEN1 (0.43) POLBMEN1KMT2ARAB9AUSP2
SCHEMBL7603554 0.83 RAB9A (0.52) POLBMEN1KMT2ARAB9AUSP2
SCHEMBL29989408 0.83 MEN1 (0.52) POLBMEN1KMT2ARAB9AUSP2
SCHEMBL14613214 0.82 MEN1 (0.55) POLBMEN1KMT2ARAB9AUSP2
SCHEMBL13537327 0.80 MEN1 (0.50) POLBMEN1KMT2ARAB9AUSP2
SCHEMBL7601817 0.80 MEN1 (0.64) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL17968728 0.79 MEN1 (0.49) POLBMEN1KMT2ARAB9AUSP2
SCHEMBL1792194 0.78 ALDH1A1 (0.62) POLBMEN1KMT2ARAB9ANOD2
SCHEMBL30534146 0.78 ALDH1A1 (0.62) POLBMEN1KMT2ARAB9ANOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1264825-A1 Beta-Hydroxyalkylpicoliniumsalts Bayer Aktiengesellschaft (DE) 2002-12-11 EP disclosed
US-5840902-A REACTING PICOLINE WITH ALKYLENE OXIDE IN PRESENCE OF ACID IN WATER OR MIXTURE OF WATER AND POLAR SOLVENT BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
EP-0776888-A2 Process for the preparation of beta-Hydrosyalkylpicolinium salts and picolinium salts as intermediates for the prepation of cationic dyes BAYER AG (DE) 1997-06-04 EP disclosed
US-4513142-A Preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
EP-0074569-A2 Cationic methine dyes, process for their preparation and their use, in dyeing textile materials and other substrates BAYER AG (DE) 1983-03-23 EP disclosed
US-4110070-A QUATERNIZING INDOLENINE METHINE COMPOUND ON FIBERS TO FORM CATIONIC DYE HODOGAYA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed