SCHEMBL9771316

SCHEMBL9771316

O=C1[C@H]2COC3(CCCCC3)N2C(=O)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ ACHE P22303 1/20 0.41
▸ KCNJ1 P48048 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ GFER P55789 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL9771313 0.85 ALDH1A1 (0.37) ALDH1A1LMNAMAPTKDM4E
SCHEMBL9771382 0.84 KMT2A (0.45) ALDH1A1LMNASMN1; SMN2KDM4ESIGMAR1
SCHEMBL9826664 0.81 MAPT (0.39) ALDH1A1LMNAMAPTACHEKDM4E
SCHEMBL9771496 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPTACHEKCNJ1
SCHEMBL9771377 0.70 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL9771342 0.67 POLB (0.46) ALDH1A1LMNAMAPTACHESMN1; SMN2
SCHEMBL9771326 0.66 POLB (0.44) ALDH1A1LMNAMAPTACHEKCNJ1
SCHEMBL9771317 0.64 POLB (0.55) ALDH1A1LMNAMAPTACHESMN1; SMN2
SCHEMBL4614544 0.62 MGLL (0.67) ALDH1A1LMNAMAPTGFERPOLB
SCHEMBL8329627 0.61 KDM4E (0.71) ALDH1A1LMNAMAPTKCNJ1SMN1; 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 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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