SCHEMBL30007413

SCHEMBL30007413

Cc1cc2cc(C(=O)NCC(O)(c3cc(C(C)(C)O)c(F)c(-c4ccc(F)cc4)n3)C3CC3)cc(OC3CC3)c2nn1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.34
AR P10275 1/20 0.32
ENPP2 Q13822 2/20 0.31
SCN9A Q15858 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK14 Q16539 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL23958646 1.00 CFTR (0.34) CFTRARENPP2SCN9ACYP2C9
SCHEMBL25241094 1.00 CFTR (0.34) CFTRARENPP2SCN9ACYP2C9
SCHEMBL23958749 0.94 CFTR (0.33) CFTRARSCN9ACYP2C9MAPK14
SCHEMBL30007186 0.94 CFTR (0.33) CFTRARSCN9ACYP2C9MAPK14
SCHEMBL25687394 0.94 CFTR (0.33) CFTRARSCN9ACYP2C9MAPK14
SCHEMBL23958644 0.93 CFTR (0.36) CFTRSCN9ACYP2C9MAPK14MAPT
SCHEMBL30007924 0.93 CFTR (0.36) CFTRSCN9ACYP2C9MAPK14MAPT
SCHEMBL25687411 0.93 CFTR (0.36) CFTRSCN9ACYP2C9MAPK14MAPT
SCHEMBL23958706 0.93 CFTR (0.36) CFTRSCN9ACYP2C9MAPK14MAPT
SCHEMBL30006761 0.92 CFTR (0.34) CFTRSCN9ACYP2C9MAPK14HPGDS

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
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed