SCHEMBL13749169

SCHEMBL13749169

CC(C)(C)C1=CC(=CN=Nc2ccc(N=O)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CES2 O00748 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL13580310 0.89 ATM (0.38) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL14280269 0.88 NPC1 (0.37) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL15893570 0.87 NPC1 (0.36) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL15893569 0.87 CYP2D6 (0.36) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL13986178 0.87 ATM (0.36) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL13580484 0.87 ATM (0.36) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL141575 0.87 ATM (0.36) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL21179846 0.86 SMN1; SMN2 (0.40) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL13986184 0.86 SMN1; SMN2 (0.40) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL13580828 0.86 NPC1 (0.33) ATMNPC1KMT2AGPR35

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
US-20090202929-A1 ELECTROPHOGRAPHIC PHOTORECEPTOR INCLUDING DIPHENOQUINONE-BASED COMPOUNDS INCLUDING OXADIAZOLENE GROUP, AND ELECTROPHOTOGRAPHIC IMAGING APPARATUS USING THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2009-08-13 — — US disclosed
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