SCHEMBL9040247

SCHEMBL9040247

ClCCCn1cnc2ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 2/20 0.54
LMNA P02545 6/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTT P42858 3/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPK1 P28482 1/20 0.44
MAP3K14 Q99558 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BRD4 O60885 1/20 0.40
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL17103072 0.95 PRPS1 (0.53) PRPS1LMNARAB9ANPC1PKM
SCHEMBL11557672 0.87 LMNA (0.60) PRPS1LMNARAB9ANPC1PKM
SCHEMBL9038637 0.87 MAPT (0.57) PRPS1LMNARAB9ANPC1PKM
SCHEMBL259900 0.83 PRPS1 (0.51) PRPS1LMNARAB9ANPC1PKM
SCHEMBL13668153 0.81 PRPS1 (0.50) PRPS1LMNARAB9ANPC1PKM
SCHEMBL9040262 0.79 PRPS1 (0.52) PRPS1LMNARAB9ANPC1PKM
SCHEMBL11331909 0.79 NPC1 (0.52) PRPS1LMNARAB9ANPC1PKM
SCHEMBL9040429 0.78 MTNR1A (0.61) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL17103033 0.78 BRD4 (0.44) PRPS1LMNASMN1; SMN2MAPTHSD17B10
SCHEMBL17103045 0.78 MAPT (0.43) PRPS1LMNARAB9ANPC1SMN1; SMN2

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-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed