SCHEMBL6203342

SCHEMBL6203342

CC(C)O[C](OC(C)C)c1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
C1S P09871 1/20 0.46
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL4514092 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL6202385 0.77 CES2 (0.48) NPC1RAB9APARP1ALDH1A1CHRNB2
SCHEMBL6204823 0.76 CES2 (0.56) SMN1; SMN2NPC1RAB9APARP1ALDH1A1
SCHEMBL27402068 0.75 SMN1; SMN2 (0.50) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL12446253 0.74 KMT2A (0.55) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL7467749 0.74 SMN1; SMN2 (0.49) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL932584 0.71 C1S (0.62) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL29922182 0.71 CHRNA1 (0.59) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL3125040 0.71 CHRNA1 (0.59) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL29818019 0.71 KDM4E (0.59) SMN1; SMN2NPC1RAB9APARP1ALDH1A1

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