SCHEMBL9771342

SCHEMBL9771342

O=C1[C@H]2COC(c3ccccc3)N2C(=O)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ TRPV6 Q9H1D0 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HTT P42858 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP9 P55211 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38

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
SCHEMBL9771422 0.87 EP300 (0.49) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL9771408 0.84 KMT2A (0.42) POLBLMNAKMT2AALDH1A1MEN1
SCHEMBL9771377 0.82 ALDH1A1 (0.43) POLBLMNAKMT2AP2RX4ALDH1A1
SCHEMBL9771337 0.81 CMA1 (0.50) LMNAKMT2AALDH1A1MEN1CASP3
SCHEMBL9826849 0.81 MAPT (0.43) POLBKMT2AALDH1A1HTTACHE
SCHEMBL9771317 0.79 POLB (0.55) POLBTRPV6LMNAKMT2AP2RX4
SCHEMBL9827539 0.73 ALDH1A1 (0.36) POLBLMNAKMT2AALDH1A1MEN1
SCHEMBL9771335 0.71 ADORA2A (0.48) POLBLMNAKMT2AALDH1A1MEN1
SCHEMBL9771326 0.70 POLB (0.44) POLBLMNAKMT2AALDH1A1HTT
SCHEMBL9771316 0.67 ALDH1A1 (0.51) POLBLMNAALDH1A1HTTACHE

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-5068341-A OPTICALLY ACTIVE HYDANTOINS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 — — US disclosed
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