SCHEMBL29793541

SCHEMBL29793541

COc1cccc(N)c1-c1c([N+](=O)[O-])cnn1C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 1/20 0.35
ATR Q13535 1/20 0.35
MAPT P10636 4/20 0.34
PIN1 Q13526 2/20 0.34
MAPK1 P28482 3/20 0.34
BTK Q06187 1/20 0.33
APLNR P35414 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
SCHEMBL23092191 1.00 EGFR (0.38) EGFRTDP1ALDH1A1POLBLMNA
SCHEMBL23092237 0.87 ALDH1A1 (0.40) EGFRALDH1A1POLBLMNAATR
SCHEMBL23092188 0.86 POLB (0.39) EGFRTDP1ALDH1A1POLBLMNA
SCHEMBL28796322 0.81 ALDH1A1 (0.40) ALDH1A1POLBLMNAATRMAPT
SCHEMBL28796303 0.75 TSHR (0.40) EGFRALDH1A1POLBLMNAATR
SCHEMBL26695909 0.72 ALDH1A1 (0.42) EGFRALDH1A1POLBLMNAMAPT
SCHEMBL30926242 0.71 OPRK1 (0.41) EGFRTDP1ALDH1A1POLBLMNA
SCHEMBL15528303 0.69 ALDH1A1 (0.42) EGFRALDH1A1POLBLMNAMAPT
SCHEMBL165273 0.69 RXRA (0.40) TDP1ALDH1A1POLBLMNAMAPT
SCHEMBL31121566 0.69 MAPT (0.38) EGFRALDH1A1POLBLMNAMAPT

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