SCHEMBL13152153

SCHEMBL13152153

COc1ccc(-n2cc(N)c3ccc(F)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 2/20 0.46
MIF P14174 2/20 0.46
MPI P34949 2/20 0.46
PHOSPHO1 Q8TCT1 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 2/20 0.41
ABCB1 P08183 4/20 0.39
TP53 P04637 1/20 0.39
MAOB P27338 1/20 0.39
FGFR1 P11362 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10254740 0.85 ALDH1A1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13460259 0.84 ALDH1A1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13152691 0.84 KDM1A (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13152592 0.83 ALDH1A1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL10095343 0.80 KDM4E (0.52) ALDH1A1
SCHEMBL13153385 0.79 HTT (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL14176085 0.76 SSTR5 (0.49) ALDH1A1
SCHEMBL13152675 0.74 CTSL (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL28854556 0.72 ALDH1A1 (0.46) PMM2MIFMPIPHOSPHO1NPC1
SCHEMBL13152103 0.71 MAPK8 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed