SCHEMBL4659663

SCHEMBL4659663

Cc1nn(C(=O)OCC(C)C)c2cc(Br)sc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ TSHR P16473 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ JMJD6 Q6NYC1 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL4659624 0.83 TSHR (0.32) MEN1KMT2AHPGDP2RX4TSHR
SCHEMBL2223563 0.68 TSHR (0.50) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL2222809 0.64 P2RX4 (0.37) MEN1KMT2AHPGDP2RX4TSHR
SCHEMBL3943731 0.64 HDAC8 (0.42) P2RX4ALDH1A1MAPTNPC1RAB9A
SCHEMBL4658528 0.64 AAK1 (0.36) MEN1KMT2AHPGDP2RX4
SCHEMBL4767343 0.64 ELANE (0.46) MEN1KMT2AMAPT
SCHEMBL10687 0.63 KMO (0.46) MEN1KMT2AP2RX4ALDH1A1MAPT
SCHEMBL14720210 0.62 NTSR1 (0.46) MEN1KMT2AHPGDP2RX4TSHR
SCHEMBL1161341 0.62 KCNMA1 (0.50) MEN1KMT2AHPGDP2RX4TSHR
SCHEMBL17311564 0.62 ELANE (0.50) P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 — — EP disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 — — EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 — — WO disclosed
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