SCHEMBL8130282

SCHEMBL8130282

O=C(O)C1=Cc2cc(C(=O)Br)ccc2NCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33

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
SCHEMBL6349353 0.82 KDM4E (0.38) KDM4EMAPTGABRPGABRDGABRA1
SCHEMBL7714810 0.77 TSHR (0.39) KDM4EMAPTGABRPGABRDGABRA1
SCHEMBL6614933 0.77 MAPT (0.40) KDM4EMAPTMEN1HPGDKMT2A
SCHEMBL19747000 0.70 MAPT (0.43) KDM4EMAPTGABRPGABRDGABRA1
SCHEMBL6351873 0.69 PRKAB2 (0.43) KDM4EMAPTALDH1A1
SCHEMBL6341328 0.67 NR4A2 (0.38)
SCHEMBL29530477 0.65 KDM4E (0.81) KDM4EMAPTCDK2BLMDRD2
SCHEMBL2638095 0.65 KDM4E (0.81) KDM4EMAPTCDK2BLMDRD2
SCHEMBL5205301 0.64 GABRA1 (0.39) KDM4EMAPTGABRA1TSHRGABRB1
Hydrochloric Acid SCHEMBL698487 0.64 KDM4E (0.78) KDM4EMAPTCDK2BLMDRD2

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-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed