SCHEMBL6625835

SCHEMBL6625835

Brc1ccc(-c2c[nH]c(SCc3[c]cccn3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 9/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MGAM O43451 8/20 0.32
▸ SI P14410 8/20 0.32
▸ MGAM2 Q2M2H8 8/20 0.32
▸ XDH P47989 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ METAP2 P50579 1/20 0.30

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
SCHEMBL6628178 0.89 PDE10A (0.35) KDM4EALDH1A1TP53LMNA
SCHEMBL6625487 0.85 TP53 (0.40) GAAHPGDKDM4ENPC1ALDH1A1
SCHEMBL6625834 0.68 MGAM (0.34) GAAHSD17B10HPGDMGAMSI
SCHEMBL6482032 0.68 KDM4E (0.51) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL6629853 0.65 HTT (0.50) HPGDNPC1ALDH1A1TP53MAPT
SCHEMBL7451163 0.63 PDE10A (0.44) GAAKDM4ENPC1MAPTRAB9A
SCHEMBL1980545 0.62 ALDH1A1 (0.38) GAAHSD17B10HPGDKDM4ENPC1
SCHEMBL28079633 0.61 NPC1 (0.42) GAAKDM4ENPC1ALDH1A1TP53
SCHEMBL855275 0.61 METAP2 (0.38) GAAKDM4ENPC1ALDH1A1MAPT
SCHEMBL27834569 0.60 HRH3 (0.45) GAAHPGDKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004525942-A — — 2004-08-26 — — JP claimed
US-20040116495-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-06-17 — — US claimed
EP-1379241-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 — — EP claimed
WO-2002078699-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 — — WO claimed
US-20040116495-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-06-17 — — US disclosed
EP-1379241-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 — — EP disclosed
WO-2002078699-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 — — WO disclosed
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