SCHEMBL2346102

SCHEMBL2346102

Cc1ccc(NC(=O)C2CCCCC2)cc1-c1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.65
▸ ABL1 P00519 5/20 0.61
▸ LCK P06239 3/20 0.55
▸ CSF1R P07333 3/20 0.55
▸ TNF P01375 1/20 0.54
▸ EGFR P00533 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ ERBB4 Q15303 1/20 0.53
▸ ACKR3 P25106 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ HSPB1 P04792 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ HTR2C P28335 1/20 0.50
▸ MCHR1 Q99705 1/20 0.50

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
SCHEMBL2352219 0.97 ABL1 (0.64) MAPK14ABL1LCKCSF1RTNF
SCHEMBL2347964 0.96 ABL1 (0.65) MAPK14ABL1LCKCSF1RTNF
SCHEMBL2346300 0.93 MAPK14 (0.61) MAPK14ABL1LMNA
SCHEMBL2347532 0.88 MAPK14 (0.71) MAPK14ABL1KMT2AHSPB1
SCHEMBL14344806 0.88 ABL1 (0.62) MAPK14ABL1LCKCSF1REGFR
SCHEMBL12459047 0.87 ALDH1A1 (0.65) MAPK14ABL1LCKCSF1REGFR
SCHEMBL3919974 0.86 ABL1 (0.63) MAPK14ABL1LCKCSF1REGFR
SCHEMBL2346050 0.85 ABL1 (0.67) MAPK14ABL1KMT2AHSPB1
SCHEMBL2343237 0.85 ABL1 (0.69) MAPK14ABL1LCKCSF1REGFR
SCHEMBL12394317 0.84 MAPK14 (0.58) MAPK14ABL1LCKCSF1REGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008303-B2 e.g. 6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-bromo-phenyl)-amide]-[(4 morpholin-4-yl-phenyl)-amide]; viricide; with other active viricide such as interferon or ribavirin ASTRAZENECA AB (SE) 2011-08-30 — — US disclosed
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