SCHEMBL4695528

SCHEMBL4695528

O=C(O)Cc1ccc2nc(Br)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
NFKB1 P19838 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RGS12 O14924 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
GNAI1 P63096 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL73741 0.83 RAB9A (0.62) KDM4EGAAMAPTHPGDLMNA
SCHEMBL31716343 0.83 LDHA (0.56) KDM4EGAAMAPTLMNAHSD17B10
SCHEMBL3592563 0.83 KDM4E (0.50) KDM4EGAAMAPTNFKB1HPGD
SCHEMBL2275594 0.82 RAB9A (0.54) GAAMAPTNFKB1HPGDLMNA
Hydrochloric Acid SCHEMBL3592885 0.81 RAB9A (0.60) KDM4EGAAMAPTHPGDLMNA
SCHEMBL12596891 0.80 KDM4E (0.79) KDM4EGAAMAPTNFKB1HPGD
SCHEMBL14684919 0.80 NPC1 (0.56) KDM4EMAPTNFKB1HPGDLMNA
SCHEMBL7407979 0.80 APP (0.54) GAAMAPTHSD17B10SMN1; SMN2NPC1
SCHEMBL8038269 0.79 KDM4E (0.57) KDM4EGAAMAPTNFKB1LMNA
SCHEMBL10973241 0.78 CA2 (0.63) CA2

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-1910348-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed