SCHEMBL6201896

SCHEMBL6201896

CCOCC([O])Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
RIPK1 Q13546 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TAAR1 Q96RJ0 3/20 0.36
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAOB P27338 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 2/20 0.35
AOC3 Q16853 1/20 0.34

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
SCHEMBL6202381 0.80 SLC6A2 (0.41) IDO1ALDH1A1PPARGPPARATAAR1
SCHEMBL6203702 0.79 ALDH1A1 (0.42) IDO1ALDH1A1TAAR1KMT2ACYP3A4
SCHEMBL6204860 0.75 TSHR (0.47) ALDH1A1POLBTAAR1SLC6A2SLC6A4
Ether SCHEMBL453112 0.73 IDO1 (0.44) IDO1RIPK1ALDH1A1KDM4EPOLB
SCHEMBL12874173 0.72 IDO1 (0.57) IDO1ALDH1A1KDM4EPOLBTAAR1
SCHEMBL6201417 0.72 IDO1 (0.42) IDO1ALDH1A1PPARGPPARATAAR1
SCHEMBL5761538 0.72 IDO1 (0.42) IDO1ALDH1A1KDM4EPOLBPPARG
SCHEMBL6204253 0.70 PPARG (0.40) IDO1RIPK1ALDH1A1PPARGPPARA
SCHEMBL6200983 0.70 TAAR1 (0.46) IDO1ALDH1A1PPARGPPARATAAR1
SCHEMBL8638253 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBPPARGPPARA

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-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