SCHEMBL19860059

SCHEMBL19860059

CCC(C)(C)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 8/20 0.62
SMN1; SMN2 Q16637 6/20 0.61
LMNA P02545 3/20 0.61
FABP1 P07148 1/20 0.61
FABP6 P51161 1/20 0.61
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 2/20 0.58
RECQL P46063 1/20 0.58
USP2 O75604 1/20 0.58
PKM P14618 1/20 0.58
MAPT P10636 1/20 0.58
STAT3 P40763 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL12042470 0.90 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12058759 0.87 KMT2A (0.75) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8925693 0.85 ALDH1A1 (0.75) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13959022 0.83 MEN1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL94838 0.82 MEN1 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13973332 0.82 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5600177 0.79 MEN1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8916560 0.78 MEN1 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13417633 0.77 ALDH1A1 (0.76) MEN1KMT2AALDH1A1LMNAFABP1
SCHEMBL8917255 0.77 ALDH1A1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed