SCHEMBL9953832

SCHEMBL9953832

CC(C)(O)c1cccc2nc3ccc(-c4ccc5nc6cccc(C(C)(C)O)c6nc5c4)cc3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
CASP6 P55212 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NQO2 P16083 9/20 0.38
PGR P06401 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
NR1H2 P55055 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL25101360 0.72 NQO2 (0.50) MAPTRAB9AALDH1A1KMT2APOLB
SCHEMBL9953356 0.71 RAB9A (0.42) MAPTRAB9AALDH1A1KMT2APOLB
SCHEMBL7173382 0.71 NQO2 (0.62) MAPTRAB9AALDH1A1KMT2APOLB
SCHEMBL28429350 0.69 MAPT (0.47) MAPTRAB9AALDH1A1KMT2APOLB
Hydrochloric Acid SCHEMBL6265381 0.69 NQO2 (0.59) MAPTRAB9AALDH1A1KMT2APOLB
SCHEMBL13818412 0.67 NQO2 (0.56) MAPTRAB9AALDH1A1KMT2APOLB
SCHEMBL20475281 0.66 ALDH1A1 (0.61) MAPTRAB9AALDH1A1KMT2APOLB
SCHEMBL5157311 0.66 PIK3CA (0.58) MAPTRAB9AALDH1A1KMT2APOLB
SCHEMBL28883852 0.65 MAPT (0.50) MAPTRAB9AALDH1A1KMT2APOLB
SCHEMBL13739809 0.65 METAP2 (0.56) MAPTRAB9AKMT2AMEN1SMN1; SMN2

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-2655334-A1 COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES Eutropics Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088438-A1 COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES EUTROPICS PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed