SCHEMBL4696006

SCHEMBL4696006

COc1ccc(C(O)(C=O)c2ccccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
RELA Q04206 2/20 0.42
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
AHR P35869 1/20 0.40
POLB P06746 1/20 0.39
CCR6 P51684 1/20 0.39
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.38
KCNN4 O15554 2/20 0.38

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
SCHEMBL811207 0.84 KCNN4 (0.50) GAAKCNN4
SCHEMBL812737 0.80 CES2 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28285047 0.80 AHR (0.42) MAOBRELANFE2L2MEN1KMT2A
SCHEMBL4697916 0.79 NPC1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7123446 0.76 RELA (0.42) MAOBRELANFE2L2MEN1KMT2A
SCHEMBL11860877 0.74 RELA (0.42) MAOBRELANFE2L2MEN1KMT2A
SCHEMBL8800598 0.73 CYP1A2 (0.54) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5444949 0.72 LMNA (0.54) MAOBNFE2L2MEN1KMT2ANPC1
SCHEMBL1939058 0.72 ALDH1A1 (0.38) RELANFE2L2KMT2ANPC1RAB9A
SCHEMBL6632456 0.70 SMN1; SMN2 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed