SCHEMBL904002

SCHEMBL904002

CS(=O)(=O)N1CCN(Cc2ccc(O)c(Br)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 1/20 0.48
STAT3 P40763 1/20 0.48
ICAM1 P05362 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
CARM1 Q86X55 1/20 0.44

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
SCHEMBL903893 0.83 ALDH1A1 (0.54) KDM4EALDH1A1LMNAICAM1SMN1; SMN2
SCHEMBL903886 0.83 KDM4E (0.54) KDM4EALDH1A1LMNAHSP90AA1HSP90AB1
SCHEMBL1005879 0.79 KDM4E (0.62) KDM4EALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL19603235 0.75 HTT (0.62) KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL15218460 0.74 ALDH1A1 (0.59) KDM4EALDH1A1LMNASMN1; SMN2POLB
SCHEMBL2184353 0.74 ALDH1A1 (0.61) KDM4EALDH1A1LMNAPOLB
SCHEMBL940416 0.73 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2RECQL
SCHEMBL2350825 0.73 LMNA (0.62) KDM4EALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL10068063 0.73 ALDH1A1 (0.43) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL29275411 0.72 KDM4E (0.65) KDM4EALDH1A1LMNASMN1; SMN2THRB

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
CN-102432598-A Tricyclic compound, preparation method thereof and pharmaceutical application thereof JIANGSU HENGRUI MEDICINE CO 2012-05-02 CN disclosed
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed