SCHEMBL6505271

SCHEMBL6505271

CCCCOc1ccc(C(C)(C)CNc2cccc3[nH]c(C)nc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ACACB O00763 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNA5 P22460 1/20 0.35
HRH3 Q9Y5N1 7/20 0.35
MAOB P27338 5/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5144164 0.66 SMN1; SMN2 (0.52) MEN1KMT2AGAADRD2DRD3
SCHEMBL7617293 0.65 PARP1 (0.46) MEN1KMT2AGAADRD2DRD4
SCHEMBL10084514 0.64 HRH3 (0.64) HRH3MAOB
SCHEMBL3072602 0.63 PARP1 (0.53) GAADRD2DRD4DRD3CYP1A2
SCHEMBL17702656 0.62 FGFR1 (0.45) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL17702655 0.62 LMNA (0.52) MEN1KMT2ATP53LMNARAB9A
SCHEMBL10879465 0.62 CYP3A4 (0.57) SMN1; SMN2ACACBHRH3MAOBCYP3A4
SCHEMBL1133575 0.62 HRH3 (0.61) HRH3MAOB
SCHEMBL8262967 0.61 ALDH1A1 (0.47) MEN1KMT2AGAADRD2DRD4
SCHEMBL9593021 0.61 HRH3 (0.57) MEN1KMT2ATP53LMNARAB9A

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-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 WO disclosed