SCHEMBL9038653

SCHEMBL9038653

COc1cc2ncn(CCCCl)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRPS1 P60891 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
TNF P01375 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDR P35968 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL21591501 0.86 LMNA (0.48) LMNAMEN1KMT2APRPS1FGFR1
SCHEMBL2268683 0.84 LMNA (0.51) LMNAMEN1KMT2APRPS1FGFR1
SCHEMBL9598443 0.83 MEN1 (0.49) LMNAMEN1KMT2APRPS1FGFR1
SCHEMBL9569986 0.83 MEN1 (0.49) LMNAMEN1KMT2APRPS1FGFR1
SCHEMBL2273596 0.80 FGFR1 (0.51) LMNAMEN1KMT2APRPS1FGFR1
SCHEMBL4873272 0.80 HDAC6 (0.68) KMT2ATNFHDAC6ALDH1A1HDAC3
SCHEMBL9040429 0.79 MTNR1A (0.61) LMNAMEN1KMT2AFGFR1MAPT
SCHEMBL9041325 0.79 MAPT (0.51) LMNAMEN1KMT2AFGFR1MAPT
SCHEMBL9037446 0.79 LMNA (0.76) LMNAMEN1KMT2AMAPTTP53
SCHEMBL9040262 0.77 PRPS1 (0.52) LMNAMEN1KMT2APRPS1MAPT

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