SCHEMBL3968856

SCHEMBL3968856

COc1ccc(-c2nocc2C(=O)N2CCCC(C(C)(C)O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
HIF1A Q16665 1/20 0.41
GFER P55789 1/20 0.40
BTK Q06187 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3181486 1.00 LMNA (0.45) LMNAUSP2MEN1KMT2ARAB9A
SCHEMBL3973901 0.89 SMN1; SMN2 (0.42) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL3172001 0.89 SMN1; SMN2 (0.42) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL3172381 0.85 TSHR (0.44) LMNAUSP2MEN1KMT2ARAB9A
SCHEMBL3968025 0.85 TSHR (0.44) LMNAUSP2MEN1KMT2ARAB9A
SCHEMBL3663236 0.80 SCD5 (0.40) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3173484 0.79 LMNA (0.42) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL3664032 0.79 LMNA (0.42) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL3171841 0.79 LMNA (0.42) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL3181831 0.78 SMN1; SMN2 (0.42) LMNAMEN1KMT2ARAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed