SCHEMBL9771377

SCHEMBL9771377

CC1OC[C@@H]2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(=O)N12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KCNJ1 P48048 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 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
SCHEMBL9771335 0.82 ADORA2A (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL9771342 0.82 POLB (0.46) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL9826750 0.79 MAPT (0.40) ALDH1A1MAPTKMT2AMEN1
SCHEMBL9771326 0.79 POLB (0.44) ALDH1A1HTTLMNAMAPTKCNJ1
SCHEMBL9771317 0.71 POLB (0.55) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL9771316 0.70 ALDH1A1 (0.51) ALDH1A1HTTLMNAMAPTKCNJ1
SCHEMBL16589756 0.68 ALDH1A1 (0.50) ALDH1A1HTTLMNAMAPTKCNJ1
SCHEMBL10267429 0.66 HDAC6 (0.56) ALDH1A1HTTLMNAMAPTKCNJ1
SCHEMBL9771496 0.66 ALDH1A1 (0.51) ALDH1A1HTTLMNAMAPTKCNJ1
SCHEMBL4614544 0.65 MGLL (0.67) ALDH1A1LMNAMAPTKMT2AGFER

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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