SCHEMBL23965649

SCHEMBL23965649

CC(=N)c1cc(Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TP53 P04637 3/20 0.54
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MAPT P10636 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 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
SCHEMBL16954077 0.81 ALDH1A1 (0.58) ALDH1A1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL18712125 0.80 MEN1 (0.38) ALDH1A1TP53HSD17B10MEN1KMT2A
SCHEMBL17089325 0.80 CA1 (0.55) ALDH1A1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL16955522 0.79 ALDH1A1 (0.61) ALDH1A1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL2667962 0.78 RECQL (0.49) ALDH1A1TP53SMN1; SMN2TSHRHSD17B10
SCHEMBL24840515 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TDP1KMT2AKDM4E
SCHEMBL8861494 0.77 ALDH1A1 (0.54) ALDH1A1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL4206265 0.77 ALDH1A1 (0.54) ALDH1A1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL363918 0.77 ALDH1A1 (0.65) ALDH1A1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL29518159 0.77 ALDH1A1 (0.65) ALDH1A1TP53RAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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