SCHEMBL6204802

SCHEMBL6204802

COC([O])Cc1ccc(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB5 P28074 3/20 0.38
PSMB8 P28062 2/20 0.38
CTSB P07858 1/20 0.37
CNR1 P21554 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LDHA P00338 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RIOK2 Q9BVS4 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL27606231 0.84 PNMT (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6204601 0.78 PKM (0.41) MEN1KMT2AL3MBTL1LDHASMN1; SMN2
SCHEMBL6204804 0.77 PSMB5 (0.38) MEN1HTTKMT2APSMB5PSMB8
SCHEMBL6205345 0.76 IDO1 (0.47) CTSBMAPTALDH1A1
SCHEMBL6203594 0.76 MAOA (0.40) HTTMAPTL3MBTL1LDHAALDH1A1
SCHEMBL6203919 0.76 PNMT (0.55) MEN1KMT2ALMNASMN1; SMN2
Bromide SCHEMBL27951844 0.74 PSMB5 (0.38) MEN1HTTKMT2APSMB5PSMB8
SCHEMBL11781933 0.74 PSMB5 (0.38) MEN1HTTKMT2APSMB5PSMB8
SCHEMBL6788119 0.73 PSMB5 (0.38) PSMB5PSMB8CTSBCNR1LDHA
SCHEMBL7562470 0.73 GABRA1 (0.50) MEN1KMT2APSMB5PSMB8CNR1

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