SCHEMBL22941982

SCHEMBL22941982

CC#Cc1cc(C)c(C2C(=O)CC3(CCC(NC(=O)c4ccccn4)CC3)CC2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
GRM5 P41594 11/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
MERTK Q12866 1/20 0.39
CRBN Q96SW2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
KDM5A P29375 1/20 0.35

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
SCHEMBL22941557 0.94 EGFR (0.39) SMYD3GRM5KDM4EGAAKMT2A
SCHEMBL22942012 0.88 RAB9A (0.43) GRM5GAAKMT2ACRBNNPC1
SCHEMBL22941554 0.86 KCNA3 (0.38) SMYD3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL22941524 0.84 KDM1A (0.32)
SCHEMBL22942059 0.83 RAB9A (0.35) KDM4EGAAKMT2ANPC1RAB9A
SCHEMBL22941523 0.82 GABRA1 (0.35) NPC1RAB9A
SCHEMBL22941527 0.82 TAS1R3 (0.41) SMYD3KDR
SCHEMBL22941978 0.82 JAK2 (0.34)
SCHEMBL21344636 0.82 L3MBTL1 (0.44) GAASMN1; SMN2
SCHEMBL22942013 0.82 ALOX15 (0.34)

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
WO-2021018834-A1 CYCLIC DIONES AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed