SCHEMBL8722764

SCHEMBL8722764

CCN(CCC#N)c1ccc(C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
ALDH1A3 P47895 3/20 0.65
ALDH3A1 P30838 3/20 0.65
KMT2A Q03164 9/20 0.46
MAPT P10636 8/20 0.46
MEN1 O00255 8/20 0.46
POLB P06746 2/20 0.46
CYP2A6 P11509 1/20 0.44
CYP2A13 Q16696 1/20 0.44
MAPK1 P28482 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 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
SCHEMBL4698122 0.91 ALDH1A1 (0.55) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL11696300 0.90 ALDH3A1 (0.56) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL9836517 0.90 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL11699067 0.84 ALDH1A1 (0.47) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL11087044 0.84 ALDH1A1 (0.47) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL10942535 0.84 ALDH1A1 (0.83) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL11225008 0.83 ALDH1A1 (0.41) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL7899101 0.83 KDM4E (0.50) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL9915622 0.83 KDM4E (0.50) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT
SCHEMBL538121 0.81 ALDH1A1 (0.50) ALDH1A1ALDH1A3ALDH3A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046053-A Disperse fluorescent dye, preparation and application thereof YANCHENG TEXTILE VOCATIONAL TECHNOLOGY COLLEGE 2014-09-17 CN claimed
CN-104046053-A Disperse fluorescent dye, preparation and application thereof YANCHENG TEXTILE VOCATIONAL TECHNOLOGY COLLEGE 2014-09-17 CN 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
US-4513142-A Preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
US-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed