SCHEMBL3719951

SCHEMBL3719951

CC(C)Oc1ccc(Oc2ccc3cc(CCN)ccc3n2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.47
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.40
INSR P06213 1/20 0.37
ALK Q9UM73 1/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
ACACB O00763 2/20 0.35
S1PR1 P21453 5/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
TEC P42680 1/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 1/20 0.34
ATM Q13315 1/20 0.34
APEX1 P27695 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
SCHEMBL3720774 0.92 GLA (0.43) CSNK2A1GLASMN1; SMN2KDM4EINSR
SCHEMBL3720743 0.88 CYP1A2 (0.35) CSNK2A1GLASMN1; SMN2KDM4EINSR
SCHEMBL3718570 0.88 TSHR (0.38) CSNK2A1GLASMN1; SMN2KDM4EINSR
SCHEMBL3723730 0.86 SMN1; SMN2 (0.52) CSNK2A1GLASMN1; SMN2KDM4EMEN1
SCHEMBL3717202 0.85 ACACB (0.38) MEN1LMNAKMT2AACACBCYP1A2
SCHEMBL3717279 0.85 GLA (0.57) CSNK2A1GLASMN1; SMN2ACACBTEC
SCHEMBL3720790 0.85 CSNK2A1 (0.41) CSNK2A1KDM4EMEN1LMNAKMT2A
SCHEMBL3720513 0.83 MTNR1A (0.49) SMN1; SMN2ACACB
SCHEMBL3725388 0.83 GLA (0.44) CSNK2A1GLASMN1; SMN2LMNAACACB
SCHEMBL3717016 0.82 TSHR (0.37) CSNK2A1GLASMN1; SMN2KDM4EINSR

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