SCHEMBL28796322

SCHEMBL28796322

Nc1ccccc1-c1c([N+](=O)[O-])cnn1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ATR Q13535 2/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
RAB9A P51151 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL28796303 0.85 TSHR (0.40) ALDH1A1LMNAPOLBATRMEN1
SCHEMBL23092188 0.83 POLB (0.39) ALDH1A1LMNAPOLBATRMAPT
SCHEMBL29793541 0.81 EGFR (0.38) ALDH1A1LMNAPOLBATRMAPT
SCHEMBL23092191 0.81 EGFR (0.38) ALDH1A1LMNAPOLBATRMAPT
SCHEMBL15528303 0.74 ALDH1A1 (0.42) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL26695909 0.74 ALDH1A1 (0.42) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL165273 0.72 RXRA (0.40) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL18418889 0.72 ALDH1A1 (0.39) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL15528332 0.71 CYP2C9 (0.39) ALDH1A1LMNAPOLBKMT2ACYP4F2
SCHEMBL29258348 0.70 L3MBTL1 (0.37) ALDH1A1LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775277-A Compounds as modulators of LRRK2, NUAK1 and/or TYK2 kinases for the treatment of, for example, autoimmune diseases 原真股份有限公司 2025-04-08 CN disclosed
CN-114793435-B Compounds as modulators of LRRK2, NUAK1 and/or TYK2 kinases for the treatment of, for example, autoimmune diseases 原真股份有限公司 2024-10-01 CN disclosed
CN-115103844-A 1, 4-dihydrobenzo [ D ] pyrazolo [3,4-F ] [1,3] diazepine derivatives and related compounds as modulators of LRRK2, NUAK1 and/or TYK2 kinases for the treatment of e.g. autoimmune diseases 原真股份有限公司 2022-09-23 CN disclosed
CN-114793435-A 1, 4-dihydrobenzo [ D ] pyrazolo [3,4-F ] [1,3] diazepine derivatives and related compounds as modulators of LRRK2, NUAK1, and/or TYK2 kinases for the treatment of, for example, autoimmune diseases 原真股份有限公司 2022-07-26 CN disclosed