SCHEMBL6907603

SCHEMBL6907603

Oc1c(Br)cc(C2c3ccccc3-c3ccccc32)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LCK P06239 2/20 0.41
AKR1C1 Q04828 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
RAF1 P04049 1/20 0.36

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
SCHEMBL17574463 0.81 KDM4E (0.42) MEN1KMT2AALDH1A1TSHRHTR2A
SCHEMBL19566260 0.78 HTR2A (0.40) MEN1KMT2AALDH1A1TDP1HTR2A
SCHEMBL3553783 0.78 HTR2A (0.40) MEN1KMT2AALDH1A1TDP1HTR2A
SCHEMBL17574465 0.77 THRB (0.40) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL5792232 0.77 PTGS1 (0.40) ALDH1A1HTR2ASIRT1
SCHEMBL9461093 0.76 BACE1 (0.43) ALDH1A1AKR1C1HTR2AHDAC4HDAC8
SCHEMBL7177921 0.74 KDM1A (0.48) MEN1KMT2AALDH1A1HTR2AHDAC3
SCHEMBL7646509 0.74 GABRA1 (0.45) MEN1KMT2AHTR2AHDAC3HDAC4
SCHEMBL29116619 0.71 HTR2A (0.50) MEN1KMT2AALDH1A1CYP3A4HTR2A
SCHEMBL918436 0.71 KMT2A (0.61) MEN1KMT2ATDP1CYP3A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734279-B2 Two step production of polycarbonates GENERON IGS, INC. 2004-05-11 US disclosed
US-20030162653-A1 Two step production of polycarbonates GENERON IGS, INC. 2003-08-28 US disclosed
EP-1148934-A1 MEMBRANE FOR SEPARATION OF XENON FROM OXYGEN AND NITROGEN AND METHOD OF USING SAME MESSER GRIESHEIM GMBH (DE) 2001-10-31 EP disclosed
WO-2000033949-A1 MEMBRANE FOR SEPARATION OF XENON FROM OXYGEN AND NITROGEN AND METHOD OF USING SAME MESSER GRIESHEIM GMBH (DE) 2000-06-15 WO disclosed