SCHEMBL9724045

SCHEMBL9724045

CCOC(=O)C1CSCN1C(=O)Cc1c(F)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 3/20 0.61
GAA P10253 1/20 0.57
KDM4E B2RXH2 4/20 0.53
TSHR P16473 2/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 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
SCHEMBL9724034 0.92 KMT2A (0.50) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9383304 0.84 KMT2A (0.54) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9724038 0.83 KMT2A (0.39) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9724032 0.81 KMT2A (0.38) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9727384 0.81 KMT2A (0.67) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9724048 0.79 ALDH1A1 (0.40) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9724030 0.77 POLB (0.36) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9724043 0.77 TSHR (0.42) KMT2ASMN1; SMN2MEN1TSHRALDH1A1
SCHEMBL9382628 0.75 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9724046 0.74 ACE (0.43) KMT2ASMN1; SMN2MEN1KDM4ETSHR

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
US-5116836-A Herbicides, insecticides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed