SCHEMBL18658587

SCHEMBL18658587

Cc1c(CN2CCNCC2)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL19786040 0.86 KDM4E (0.46) ALDH1A1CYP2D6L3MBTL1MEN1KMT2A
SCHEMBL18658604 0.85 ALDH1A1 (0.46) ALDH1A1CYP2D6L3MBTL1GAALMNA
SCHEMBL29133046 0.84 MEN1 (0.50) ALDH1A1CYP2D6L3MBTL1MEN1KMT2A
SCHEMBL30643025 0.84 MEN1 (0.50) ALDH1A1CYP2D6L3MBTL1MEN1KMT2A
SCHEMBL17182246 0.84 MLNR (0.41) ALDH1A1LMNAMAPT
SCHEMBL15783846 0.84 MLNR (0.41) ALDH1A1LMNAMAPT
SCHEMBL18658781 0.76 RORC (0.55) L3MBTL1KMT2AMAPTKCNH2
SCHEMBL18658592 0.74 ALDH1A1 (0.64) ALDH1A1CYP2D6L3MBTL1MEN1KMT2A
SCHEMBL28356119 0.74 KCNH2 (0.41) ALDH1A1CYP2D6L3MBTL1GAAMAPT
SCHEMBL28046993 0.74 KCNH2 (0.49) ALDH1A1LMNAMAPTKDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148987-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-02 EP disclosed
EP-3219711-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Glaxo Group Limited (GB) 2017-09-20 EP disclosed
EP-2928885-B1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2017-03-22 EP disclosed