SCHEMBL18658604

SCHEMBL18658604

Cc1c(CN2CCN(C)CC2)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP2D6 P10635 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MPO P05164 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL18658587 0.85 ALDH1A1 (0.42) ALDH1A1CYP2D6L3MBTL1GAASMN1; SMN2
SCHEMBL18658781 0.79 RORC (0.55) L3MBTL1MAPT
SCHEMBL310485 0.78 ACHE (0.53) ALDH1A1SMN1; SMN2KDM4ETDP1LMNA
SCHEMBL15783846 0.78 MLNR (0.41) ALDH1A1MAPTLMNAACHE
SCHEMBL17182246 0.78 MLNR (0.41) ALDH1A1MAPTLMNAACHE
SCHEMBL28356119 0.78 KCNH2 (0.41) ALDH1A1CYP2D6L3MBTL1GAAMAPT
SCHEMBL28046993 0.78 KCNH2 (0.49) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL18658592 0.78 ALDH1A1 (0.64) ALDH1A1CYP2D6L3MBTL1GAASMN1; SMN2
SCHEMBL18658612 0.76 NR1H2 (0.47) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL20614085 0.75 TSHR (0.53) ALDH1A1L3MBTL1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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