SCHEMBL16215284

SCHEMBL16215284

CC(C)(C)C1=CC(=CN=Nc2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ ELANE P08246 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ SLC7A11 Q9UPY5 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CES2 O00748 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CES1 P23141 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL15893571 1.00 ATM (0.38) ATMNPC1KMT2AGPR35ELANE
SCHEMBL18877728 0.90 PTGS2 (0.43) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL13580310 0.87 ATM (0.38) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL14280269 0.85 NPC1 (0.37) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL13749169 0.85 ATM (0.37) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL15893570 0.84 NPC1 (0.36) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL13580484 0.84 ATM (0.36) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL141575 0.84 ATM (0.36) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL13986178 0.84 ATM (0.36) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL15893569 0.84 CYP2D6 (0.36) ATMNPC1KMT2AGPR35ALDH1A1

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-2799461-A1 POLYCARBONATE COPOLYMER, AND COATING LIQUID AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY USING SAME Idemitsu Kosan Co., Ltd (JP) 2014-11-05 — — EP disclosed
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