SCHEMBL9744500

SCHEMBL9744500

O=C(C=CNC1CC1)OC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CTSD P07339 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ BCHE P06276 1/20 0.39

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
SCHEMBL9092970 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CTSDMAPTPOLB
SCHEMBL10422232 0.81 ITGB1 (0.36) ALDH1A1L3MBTL1SMN1; SMN2MAPTNPSR1
SCHEMBL2289848 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CTSDMAPTHTT
SCHEMBL28842777 0.73 ALDH1A1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2MAPTNPSR1
SCHEMBL7108168 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CTSDMAPTHTT
SCHEMBL9647951 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CTSDMAPTHTT
SCHEMBL9647959 0.72 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2CTSDMAPT
SCHEMBL9647969 0.72 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2CTSDMAPT
SCHEMBL31542074 0.71 ALDH1A1 (0.65) ALDH1A1L3MBTL1SMN1; SMN2CTSDMAPT
SCHEMBL1670667 0.71 ALDH1A1 (0.65) ALDH1A1L3MBTL1SMN1; SMN2CTSDMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5138088-A Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-08-11 — — US claimed
US-4965396-A Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1990-10-23 — — US claimed
US-5138088-A Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-08-11 — — US disclosed
US-5138088-A Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-08-11 — — US disclosed
US-5138088-A Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-08-11 — — US disclosed
US-4965396-A Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1990-10-23 — — US disclosed
US-4965396-A Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1990-10-23 — — US disclosed
US-4965396-A Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1990-10-23 — — US disclosed
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