SCHEMBL2167685

SCHEMBL2167685

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCOc4ccccc4C3)nc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 3/20 0.32
NAMPT P43490 1/20 0.32
MTOR P42345 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
ITK Q08881 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30

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
SCHEMBL2168910 0.88 SMN1; SMN2 (0.42) ADRA1ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL2169831 0.87 HPGD (0.40) ADRA1ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL2171193 0.86 HPGD (0.39) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2167682 0.85 HPGD (0.38) ADRA1ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL2168080 0.85 POLB (0.36) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2169211 0.84 ITK (0.38) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL2167567 0.84 SMN1; SMN2 (0.36) ADRA1ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL2169080 0.82 MCHR1 (0.37) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2167566 0.82 ADRA1A (0.37) ADRA1ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL2168083 0.82 KDM5A (0.33) LMNANPC1RAB9ASMN1; SMN2KDM4E

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
JP-4732354-B2 2011-07-27 JP claimed