SCHEMBL9806872

SCHEMBL9806872

CCCCCOc1ccc(-c2ccc(CCCC)cn2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.58
SMN1; SMN2 Q16637 9/20 0.58
NPC1 O15118 9/20 0.58
NFKB1 P19838 4/20 0.58
NFKB2 Q00653 4/20 0.58
RELA Q04206 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 3/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
TP53 P04637 3/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 1/20 0.53
STAT3 P40763 1/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45

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
SCHEMBL9806797 0.99 RAB9A (0.56) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9806796 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8046916 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9806794 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9806785 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9806834 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9806767 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9192073 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9806816 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9193455 0.96 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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