SCHEMBL28796303

SCHEMBL28796303

Cc1ccc(N)c(-c2c([N+](=O)[O-])cnn2C2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
TP53 P04637 1/20 0.34
EGFR P00533 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
ATR Q13535 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
SCHEMBL23092233 0.86 POLB (0.42) CYP4F2CYP4A11POLBALDH1A1LMNA
SCHEMBL28796322 0.85 ALDH1A1 (0.40) CYP4F2CYP4A11POLBALDH1A1LMNA
SCHEMBL23092188 0.77 POLB (0.39) POLBALDH1A1LMNAEGFRMAPT
SCHEMBL26695909 0.76 ALDH1A1 (0.42) CYP4F2CYP4A11POLBALDH1A1LMNA
SCHEMBL29793541 0.75 EGFR (0.38) POLBALDH1A1LMNAEGFRMAPT
SCHEMBL23092191 0.75 EGFR (0.38) POLBALDH1A1LMNAEGFRMAPT
SCHEMBL15528332 0.72 CYP2C9 (0.39) CYP4F2CYP4A11POLBALDH1A1LMNA
SCHEMBL15528303 0.71 ALDH1A1 (0.42) CYP4F2CYP4A11POLBALDH1A1LMNA
SCHEMBL18418889 0.71 ALDH1A1 (0.39) CYP4F2CYP4A11POLBALDH1A1LMNA
SCHEMBL30926242 0.70 OPRK1 (0.41) CYP4F2CYP4A11POLBALDH1A1LMNA

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