SCHEMBL9804032

SCHEMBL9804032

Clc1cnn(-c2ccccc2)c1CCCCCCBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 5/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PAX8 Q06710 2/20 0.45
MITF O75030 1/20 0.45
S1PR4 O95977 1/20 0.45
THRB P10828 1/20 0.45
XBP1 P17861 1/20 0.45
S1PR1 P21453 1/20 0.45
GAA P10253 2/20 0.41
NR4A3 Q92570 1/20 0.38
LMNA P02545 3/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 4/20 0.36
NPBWR1 P48145 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL9804149 0.71 NCF1 (0.38) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL9804062 0.71 POLB (0.43) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL20413785 0.65 NR4A3 (0.47) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL14747796 0.64 PTGS2 (0.68) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL23402049 0.64 NR4A3 (0.50) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL33204 0.64 NR4A3 (0.47) RAB9AMAPTALDH1A1GAANR4A3
SCHEMBL7562209 0.63 TAAR1 (0.52) ALDH1A1LMNAPKML3MBTL1
SCHEMBL8071207 0.63 TAAR1 (0.52) ALDH1A1LMNAPKML3MBTL1
SCHEMBL7563447 0.63 TAAR1 (0.52) ALDH1A1LMNAPKML3MBTL1
SCHEMBL8070948 0.63 TAAR1 (0.52) ALDH1A1LMNAPKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP disclosed