SCHEMBL7603632

SCHEMBL7603632

Cc1ccc2c(c1)c(C=O)c(-c1ccccc1)n2C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.70
ALDH1A1 P00352 3/20 0.70
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.45
MAOA P21397 2/20 0.45
NPC1 O15118 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
NPSR1 Q6W5P4 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 4/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP2C19 P33261 2/20 0.42

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
SCHEMBL7601837 0.84 ALDH1A1 (0.68) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL1429358 0.83 ALDH1A1 (1.00) LMNAALDH1A1RAB9ANPC1NPSR1
SCHEMBL10934771 0.82 LMNA (0.79) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL7603198 0.82 ALDH1A1 (0.65) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL11688604 0.81 ALDH1A1 (0.63) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL11688733 0.80 LMNA (0.62) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL19052340 0.80 MEN1 (0.50) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL7603391 0.79 ALDH1A1 (0.66) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL7598707 0.78 POLB (0.55) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL13931827 0.77 ALDH1A1 (0.62) LMNAALDH1A1MEN1KMT2ARAB9A

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 7 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
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed