SCHEMBL9750408

SCHEMBL9750408

C=C1N(CC)c2ccc(Cl)cc2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 2/20 0.45
KCNK10 P57789 1/20 0.45
KCNK4 Q9NYG8 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PRMT1 Q99873 1/20 0.35
NOTUM Q6P988 1/20 0.33
PGR P06401 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
ANPEP P15144 1/20 0.33
CBX7 O95931 1/20 0.32
CDYL Q9Y232 1/20 0.32

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
SCHEMBL13753893 0.85 KCNK2 (0.44) KCNK2KCNK10KCNK4ALDH1A1LMNA
SCHEMBL30274468 0.83 KCNK2 (0.45) KCNK2KCNK10KCNK4ALDH1A1LMNA
SCHEMBL9750249 0.82 KMT2A (0.39) ALDH1A1LMNASMN1; SMN2KDM4EPGR
SCHEMBL30242144 0.82 PTGDR2 (0.47) KCNK2KCNK10KCNK4ALDH1A1SMN1; SMN2
SCHEMBL28980135 0.82 PTGDR2 (0.47) KCNK2KCNK10KCNK4ALDH1A1SMN1; SMN2
SCHEMBL4975848 0.81 PTGDR2 (0.47) KCNK2KCNK10KCNK4ALDH1A1LMNA
SCHEMBL4615673 0.78 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KDM4EPTGDR2
SCHEMBL14341063 0.78 KCNK2 (0.43) KCNK2KCNK10KCNK4ALDH1A1LMNA
SCHEMBL3809912 0.78 POLB (0.43) KCNK2KCNK10KCNK4ALDH1A1LMNA
SCHEMBL6091601 0.76 KMT2A (0.46) ALDH1A1LMNASMN1; SMN2KDM4ETP53

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
US-5120858-A Condensation of 2-methyleneindoline and formic acid in acetic anhydride MILES INC. (US) 1992-06-09 US disclosed
EP-0058863-B1 PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS BAYER AG (DE) 1985-01-23 EP disclosed
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4143228-A RED SHADES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed