SCHEMBL21021276

SCHEMBL21021276

CNc1ccc(C)c(-c2ccc(F)cc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
LYN P07948 2/20 0.37
BTK Q06187 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
AGPAT2 O15120 1/20 0.36
HSP90AB1 P08238 2/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
APP P05067 3/20 0.35
PLA2G7 Q13093 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL10304908 0.82 LMNA (0.46) LMNAAGPAT2HSP90AB1NISCHPDE3B
SCHEMBL21021589 0.80 APP (0.45) LYNBTKCYP1A2CYP3A4CYP2D6
SCHEMBL15317985 0.78 KDM4E (0.44) LMNACYP3A4HPGDAPPALDH1A1
SCHEMBL14039912 0.78 PDE3B (0.44) LMNAHSP90AB1NISCHPDE3BPDE3A
SCHEMBL10032806 0.75 DHODH (0.43) LYNBTKCYP1A2CYP3A4CYP2D6
SCHEMBL30377758 0.73 NISCH (0.52) LMNAAGPAT2NISCH
SCHEMBL9139591 0.73 NISCH (0.52) LMNAAGPAT2NISCH
SCHEMBL13652436 0.73 ACHE (0.42) LMNAHPGDNISCHMAPTALDH1A1
SCHEMBL16348086 0.73 ABL1 (0.51) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3756908 0.72 S1PR1 (0.46) CYP1A2CYP3A4CYP2D6HPGDCYP2C19

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed