SCHEMBL14720687

SCHEMBL14720687

CCC1CC(C(=O)Oc2ccc(Br)cc2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ELANE P08246 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ POLB P06746 2/20 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
SCHEMBL4544894 0.74 KMT2A (0.68) SMN1; SMN2KMT2AHTTTDP1MAPT
SCHEMBL20600116 0.74 KMT2A (0.68) SMN1; SMN2KMT2AHTTTDP1MAPT
SCHEMBL8424170 0.73 ALDH1A1 (0.49) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL6802995 0.72 LMNA (0.31) SMN1; SMN2MAPTLMNAPOLB
SCHEMBL8423697 0.72 MMP2 (0.43) SMN1; SMN2KMT2AHTTALDH1A1LMNA
SCHEMBL7887235 0.71 KMT2A (0.51) SMN1; SMN2KMT2AHTTTDP1MAPT
SCHEMBL7887233 0.71 KMT2A (0.51) SMN1; SMN2KMT2AHTTTDP1MAPT
SCHEMBL20599555 0.71 KMT2A (0.75) SMN1; SMN2KMT2AHTTTDP1MAPT
SCHEMBL8317758 0.71 KMT2A (0.81) SMN1; SMN2KMT2AHTTTDP1MAPT
SCHEMBL14510071 0.70 KMT2A (0.58) SMN1; SMN2KMT2AHTTTDP1MAPT

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-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 — — WO disclosed
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