SCHEMBL20766940

SCHEMBL20766940

CCOc1ccc(CNCc2ccc(F)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.46
HTR2A P28223 2/20 0.45
FAAH O00519 1/20 0.44
PPARA Q07869 1/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PLA2G1B P04054 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL19041058 0.85 HTT (0.51) MAPK1ALDH1A1LMNAKDM4E
SCHEMBL20767219 0.85 LMNA (0.63) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL3964758 0.83 LMNA (0.68) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL19041065 0.80 LMNA (0.49) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL20767253 0.79 ALDH1A1 (0.57) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL1042337 0.77 ACHE (0.51) MAPK1KMT2AMEN1ALDH1A1TDP1
SCHEMBL12880486 0.77 LOXL2 (0.46) ALDH1A1POLBLMNAHTR2AMAOB
Hydrochloric Acid SCHEMBL1169438 0.75 LOXL2 (0.45) MAPK1ALDH1A1POLBLMNAHTR2A
SCHEMBL7038204 0.75 KMT2A (0.50) KMT2AMEN1POLBLMNAFAAH
SCHEMBL17481411 0.75 PPARA (0.53) KMT2AMEN1LMNAPPARAMAOB

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
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed