SCHEMBL6204869

SCHEMBL6204869

COC([O])c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.39
CNR2 P34972 2/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MC4R P32245 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL27624775 0.82 APLNR (0.33) MEN1KMT2ACYP3A4CES2CES1
SCHEMBL9019981 0.77 IDO1 (0.42) MEN1KMT2ACYP3A4IDO1TDO2
SCHEMBL15854054 0.76 IDO1 (0.41) MEN1KMT2ACYP3A4IDO1TDO2
SCHEMBL28763013 0.76 IDO1 (0.41) MEN1KMT2ACYP3A4IDO1TDO2
SCHEMBL6204096 0.76 CES2 (0.39) MEN1KMT2ACES2CES1ALDH1A1
SCHEMBL6205004 0.76 CYP2C19 (0.44) KMT2ACYP3A4IDO1TDO2ALDH1A1
SCHEMBL6203755 0.76 CA1 (0.52) MEN1KMT2AIDO1TDO2ALDH1A1
SCHEMBL6204701 0.76 GABRA1 (0.43) KMT2ACYP3A4LMNAL3MBTL1ACHE
SCHEMBL6202860 0.76 ESR1 (0.52) MEN1KMT2ACYP3A4ALDH1A1MAPT
SCHEMBL6205503 0.75 CES2 (0.43) MEN1KMT2ACES2CES1MAPT

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
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed