SCHEMBL29697807

SCHEMBL29697807

O=C(O)N1CCN2c3ccc([N+](=O)[O-])cc3OCC2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PAX8 Q06710 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
LMNA P02545 2/20 0.38
IDE P14735 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL26111320 1.00 L3MBTL1 (0.40) L3MBTL1TDP1ALDH1A1SMN1; SMN2PAX8
SCHEMBL30719813 0.84 LMNA (0.49) L3MBTL1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL26424959 0.84 LMNA (0.49) L3MBTL1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL30461560 0.84 LMNA (0.49) L3MBTL1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL29520587 0.84 LMNA (0.49) L3MBTL1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL19021563 0.84 LMNA (0.49) L3MBTL1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL19021652 0.84 LMNA (0.49) L3MBTL1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL29520367 0.82 CHRNB4 (0.46) ALDH1A1SMN1; SMN2HTTCHRNB4CHRNA3
SCHEMBL31430284 0.82 CHRNB4 (0.46) ALDH1A1SMN1; SMN2HTTCHRNB4CHRNA3
SCHEMBL26424955 0.82 CHRNB4 (0.46) ALDH1A1SMN1; SMN2HTTCHRNB4CHRNA3

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
WO-2022134837-A1 PYRROLE DERIVATIVE, AND PREPARATION METHOD AND USE THEREFOR 深圳市祥根生物医药有限公司 2022-06-30 WO disclosed