SCHEMBL20204760

SCHEMBL20204760

CC(=N)c1ccc(C)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
HTT P42858 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL2692393 0.79 CHRNA1 (0.44) PRSS1PRSS2PRSS3SMN1; SMN2ALDH1A1
SCHEMBL19661710 0.79 PRSS1 (0.42) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL20342673 0.79 TSHR (0.45) PRSS1PRSS2PRSS3SMN1; SMN2ALDH1A1
SCHEMBL16955521 0.79 PRSS1 (0.56) PRSS1PRSS2PRSS3HTTCES2
SCHEMBL8404520 0.78 PRSS1 (1.00) PRSS1PRSS2PRSS3HTTCES2
SCHEMBL16955358 0.77 PRSS1 (0.54) PRSS1PRSS2PRSS3HTTCES2
Hydrochloric Acid SCHEMBL5118627 0.76 PRSS1 (0.95) PRSS1PRSS2PRSS3HTTCES2
SCHEMBL23978115 0.76 KIF11 (0.41) PRSS1PRSS2PRSS3HTTALDH1A1
SCHEMBL22897548 0.76 PRSS1 (0.39) PRSS1PRSS2PRSS3MAPTTDP1
SCHEMBL21991134 0.76 HSD17B1 (0.40) PRSS1PRSS2PRSS3HTTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed