SCHEMBL434607

SCHEMBL434607

Clc1ccc([C]2CCCCC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.47
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
PKM P14618 1/20 0.41
HSD11B1 P28845 1/20 0.41
PTGS2 P35354 1/20 0.41
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL432638 0.98 AHR (0.48) AHRRAB9AMAPTNPC1ALDH1A1
SCHEMBL432355 0.93 MAPT (0.49) AHRRAB9AMAPTNPC1ALDH1A1
SCHEMBL433539 0.89 AHR (0.52) AHRRAB9AMAPTALDH1A1HPGD
SCHEMBL15566597 0.80 TP53 (0.44) MAPTALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL434241 0.79 KMT2A (0.43) NPC1HSD11B1
SCHEMBL19994059 0.79 NISCH (0.45) RAB9ANPC1ALDH1A1HPGDHSD11B1
SCHEMBL433557 0.77 KMT2A (0.41) HSD11B1
SCHEMBL17514969 0.77 NISCH (0.46) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL6075519 0.76 AHR (0.41) AHRRAB9AMAPTNPC1ALDH1A1
SCHEMBL464507 0.75 AHR (0.64) AHRRAB9AMAPTALDH1A1TDP1

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-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed