SCHEMBL14804285

SCHEMBL14804285

Brc1ccc(C2c3ccccc3-c3ccccc3C2c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 2/20 0.37
GPR3 P46089 1/20 0.37
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
CYP2A6 P11509 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
SCHEMBL7520996 0.82 KMT2A (0.61) MEN1KMT2ANPC1GAAMAPK1
SCHEMBL13340625 0.81 KMT2A (0.50) MEN1KMT2ANPC1GAAMAPK1
Benzene SCHEMBL28134446 0.80 MEN1 (0.59) MEN1KMT2ANPC1GAAMAPK1
SCHEMBL18926276 0.77 NPC1 (0.55) MEN1KMT2ANPC1GAAMAPK1
SCHEMBL14804289 0.77 MAPK1 (0.53) MEN1KMT2AMAPK1CYP1A2ALDH1A1
SCHEMBL22564590 0.76 CYP1A2 (0.72) MEN1KMT2ANPC1GAAMAPK1
SCHEMBL524603 0.74 GPR3 (0.50) MEN1KMT2AMAPK1CYP1A2HTR2A
SCHEMBL29950614 0.74 GPR3 (0.50) MEN1KMT2AMAPK1CYP1A2HTR2A
SCHEMBL22791056 0.71 HTR2A (0.49) MEN1KMT2ANPC1GAASMN1; SMN2
SCHEMBL20783439 0.70 CYP1A2 (0.54) MEN1KMT2ANPC1GAAMAPK1

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
US-20130075714-A1 POLYMER, POLYMER COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE SUMTOMO CHEMICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
US-20130075714-A1 POLYMER, POLYMER COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE SUMTOMO CHEMICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed