SCHEMBL13629231

SCHEMBL13629231

C=C(C)c1nc2ccccc2cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
STAT3 P40763 1/20 0.47
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
ACHE P22303 1/20 0.45
MBNL1 Q9NR56 1/20 0.44
NQO2 P16083 1/20 0.41
CYP1A2 P05177 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.37
MIF P14174 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TTR P02766 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
SCHEMBL27822691 0.81 TDP1 (0.52) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL18463861 0.81 ALDH1A1 (0.56) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL18781432 0.81 TDP1 (0.47) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL2329568 0.78 ALDH1A1 (0.59) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL16992688 0.76 IKBKB (0.53) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL28099640 0.76 TDP1 (0.46) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL14541187 0.76 HTR3A (0.42) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL11096992 0.75 TDP1 (0.49) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL8905796 0.74 TDP1 (0.47) TDP1PDE10AALDH1A1HPGDKDM4E
SCHEMBL264132 0.74 TDP1 (0.49) TDP1ALDH1A1HPGDKDM4EGAA

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
EP-1380577-B1 Thiazoline acid derivatives UNIV FLORIDA (US) 2009-11-18 EP disclosed