SCHEMBL29779352

SCHEMBL29779352

Cn1cc(C(=O)Nc2ccccc2-c2ccccc2C(F)(F)F)c(C(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.45
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44
NR3C1 P04150 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHB3 P54753 1/20 0.41
DHODH Q02127 1/20 0.41
POLB P06746 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
SCHEMBL3540384 1.00 NTRK1 (0.45) NTRK1LMNAATMNR3C1SMN1; SMN2
SCHEMBL15809947 0.88 LMNA (0.53) NTRK1LMNANR3C1POLB
SCHEMBL304006 0.86 ATM (0.47) ATMSMN1; SMN2
SCHEMBL122740 0.85 LMNA (0.56) NTRK1LMNAATMNR3C1SMN1; SMN2
SCHEMBL29369397 0.85 LMNA (0.56) NTRK1LMNAATMNR3C1SMN1; SMN2
SCHEMBL232104 0.85 NTRK1 (0.56) NTRK1LMNAATM
SCHEMBL29419096 0.85 NTRK1 (0.56) NTRK1LMNAATM
SCHEMBL27716556 0.84 ATM (0.46) LMNAATMDHODH
SCHEMBL303173 0.84 POLB (0.46) LMNAATMNR3C1SMN1; SMN2EPHB3
SCHEMBL4449376 0.84 NTRK1 (0.50) NTRK1LMNAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106614620-B Fungicidal compositions 先正达参股股份有限公司 2022-07-15 CN disclosed
CN-106614612-B Fungicidal compositions 先正达参股股份有限公司 2022-07-15 CN disclosed
CN-106614611-B Fungicidal compositions 先正达参股股份有限公司 2022-07-15 CN disclosed