SCHEMBL5147277

SCHEMBL5147277

O=CCc1cc(-c2ccccc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MMP12 P39900 3/20 0.35
CNR1 P21554 1/20 0.34
S1PR1 P21453 2/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DAO P14920 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL10366618 0.79 CYP11B1 (0.43) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL5147488 0.78 MEN1 (0.33) CYP11B1CYP11B2ALDH1A1
SCHEMBL5490841 0.75 HTT (0.31) CYP11B1CYP11B2ALDH1A1
SCHEMBL12531530 0.75 CYP11B1 (0.49) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL988896 0.75 CYP11B1 (0.49) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL987523 0.75 CYP11B1 (0.49) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL6375451 0.75 CYP11B1 (0.49) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL10899166 0.74 PTGS1 (0.50) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL379478 0.72 HDAC6 (0.44) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL2600215 0.72 ALDH1A1 (0.50) CYP11B1CYP11B2HDAC6NPC1RAB9A

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-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed