SCHEMBL3720106

SCHEMBL3720106

CCOc1ccc(Oc2ccc3cc(CCN)ccc3n2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
ACACB O00763 4/20 0.40
KMT2A Q03164 3/20 0.38
TEC P42680 1/20 0.37
CSNK2A1 P68400 2/20 0.36
NCF1 P14598 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
NFKB1 P19838 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
TERT O14746 1/20 0.35
ABCB11 O95342 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 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
SCHEMBL3718574 0.92 GLA (0.53) SMN1; SMN2GLAACACBTECCSNK2A1
SCHEMBL3723730 0.91 SMN1; SMN2 (0.52) SMN1; SMN2GLAACACBKMT2ATEC
SCHEMBL3725388 0.89 GLA (0.44) SMN1; SMN2GLAACACBTECCSNK2A1
SCHEMBL3717501 0.87 GLA (0.39) SMN1; SMN2GLAKMT2ANCF1CYP3A4
SCHEMBL3717279 0.86 GLA (0.57) SMN1; SMN2GLAACACBTECCSNK2A1
SCHEMBL3720774 0.86 GLA (0.43) SMN1; SMN2GLAACACBKMT2ATEC
SCHEMBL3718627 0.85 ACACB (0.43) SMN1; SMN2GLAACACBTECCYP3A4
SCHEMBL3723787 0.85 ACACB (0.44) SMN1; SMN2ACACBKMT2ATECALDH1A1
SCHEMBL3723076 0.83 MTNR1A (0.50) SMN1; SMN2ACACBALDH1A1
SCHEMBL3719951 0.82 CSNK2A1 (0.47) SMN1; SMN2GLAACACBKMT2ATEC

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed