SCHEMBL9806793

SCHEMBL9806793

CCCCCc1ccc(-c2ccc(OCC)c(F)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.64
▸ MAPT P10636 5/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ CASP3 P42574 2/20 0.57
▸ SENP8 Q96LD8 2/20 0.57
▸ SENP7 Q9BQF6 2/20 0.57
▸ SENP6 Q9GZR1 2/20 0.57
▸ SMN1; SMN2 Q16637 10/20 0.55
▸ NPC1 O15118 9/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ NFKB1 P19838 4/20 0.54
▸ NFKB2 Q00653 4/20 0.54
▸ RELA Q04206 4/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TP53 P04637 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47

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
SCHEMBL9806813 0.99 RAB9A (0.63) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806794 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806796 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806834 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806789 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806808 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806771 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806864 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806805 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9806786 0.91 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8

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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