SCHEMBL9806813

SCHEMBL9806813

CCCCCCCCCCCCCCc1ccc(-c2ccc(OCC)c(F)c2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.63
▸ MAPT P10636 5/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ SMN1; SMN2 Q16637 10/20 0.57
▸ NPC1 O15118 9/20 0.57
▸ STAT3 P40763 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ CASP3 P42574 2/20 0.56
▸ SENP8 Q96LD8 2/20 0.56
▸ SENP7 Q9BQF6 2/20 0.56
▸ SENP6 Q9GZR1 2/20 0.56
▸ NFKB1 P19838 4/20 0.53
▸ NFKB2 Q00653 4/20 0.53
▸ RELA Q04206 4/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TP53 P04637 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46

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
SCHEMBL9806793 0.99 RAB9A (0.64) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806834 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806794 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806796 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806789 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806808 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806864 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806771 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806786 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9806805 0.93 RAB9A (0.57) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1

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-0244939-B1 HALOGEN-CONTAINING PYRIDINE COMPOUND AND LIQUID CRYSTAL COMPOSITION Chisso Corporation (JP) 1991-04-24 — — EP disclosed
US-4781857-A SWITCHES, FERROELECTRICITY CHISSO CORPORATION (JP) 1988-11-01 — — US disclosed
EP-0244939-A1 Halogen-containing pyridine compound and liquid crystal composition Chisso Corporation (JP) 1987-11-11 — — EP disclosed
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