SCHEMBL21022034

SCHEMBL21022034

C=C(Nc1cc(N)c(C)cc1F)c1cc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
KIT P10721 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21020826 0.85 MEN1 (0.43) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL20076380 0.81 MEN1 (0.35) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL21022205 0.80 TDP1 (0.48) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL20076513 0.77 MEN1 (0.36) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL21020690 0.76 GAA (0.39) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL21020665 0.76 NPC1 (0.38) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL21021270 0.75 SMN1; SMN2 (0.44) ALDH1A1KMT2AGAASMN1; SMN2NPC1
SCHEMBL20076985 0.74
SCHEMBL21021371 0.74 MEN1 (0.43) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL24022917 0.73 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGAASMN1; SMN2

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