SCHEMBL6865524

SCHEMBL6865524

Cc1c(SCCCCl)ccnc1CCl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
GPR84 Q9NQS5 1/20 0.32

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
Hydrochloric Acid SCHEMBL6867948 0.98 NPC1 (0.33) NPC1LMNAPKMHTTRAB9A
Hydrochloric Acid SCHEMBL6869270 0.94 NPC1 (0.35) NPC1LMNAPKMHTTRAB9A
Hydrochloric Acid SCHEMBL7005381 0.90
Hydrochloric Acid SCHEMBL6861519 0.86 PTGS2 (0.35)
Hydrochloric Acid SCHEMBL6861431 0.82 MAPK1 (0.34) LMNAHTT
SCHEMBL7005344 0.82 MAPK1 (0.39) NPC1LMNAHTTRAB9A
SCHEMBL7007419 0.81 GRM2 (0.33) PKM
Hydrochloric Acid SCHEMBL6866392 0.81 MAPK1 (0.36) LMNAHTT
Hydrochloric Acid SCHEMBL7010030 0.81 MAPK1 (0.38) NPC1LMNAHTTRAB9A
Hydrochloric Acid SCHEMBL8307701 0.80 ALDH1A1 (0.44) LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed
EP-1091957-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-04-18 EP disclosed
WO-1999061439-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed