SCHEMBL23965645

SCHEMBL23965645

COC(=O)C(=N)c1cccc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGS2 P35354 2/20 0.42
AKR1B10 O60218 1/20 0.42
TRPA1 O75762 1/20 0.42
ABCB11 O95342 1/20 0.42
DHFR P00374 1/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
AKR1B1 P15121 1/20 0.42
PTGS1 P23219 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HIF1A Q16665 1/20 0.42
NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL23965655 0.80 HPGD (0.38) CYP3A4LMNAKMT2ACYP2D6NPC1
SCHEMBL23965600 0.80 HPGD (0.38) CYP3A4MEN1KMT2ACYP2D6NPC1
SCHEMBL524457 0.77 LMNA (0.53) CYP3A4LMNAMEN1KMT2APTGS2
SCHEMBL20747778 0.74 CES2 (0.52) KMT2ACYP1A2NPC1RAB9ATSHR
SCHEMBL19309837 0.74 TSHR (0.55) LMNAKMT2ATDP1HSD17B10TSHR
SCHEMBL23709503 0.74 CES2 (0.53) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL28884225 0.74 MEN1 (0.43) CYP3A4LMNAMEN1KMT2APTGS2
SCHEMBL24765989 0.73 CTSD (0.56) LMNANPC1RAB9AHSD17B10TP53
SCHEMBL3652206 0.72 ESR1 (0.49) CYP3A4LMNAMEN1KMT2APTGS2
SCHEMBL6917760 0.72 ALDH1A1 (0.63) CYP3A4LMNAMEN1KMT2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3903581-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS I BASF SE (DE) 2021-11-03 EP disclosed
EP-3903583-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS III BASF SE (DE) 2021-11-03 EP disclosed
EP-3903584-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS IV BASF SE (DE) 2021-11-03 EP disclosed
EP-3903582-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II BASF SE (DE) 2021-11-03 EP disclosed