SCHEMBL9039147

SCHEMBL9039147

CCOC(=O)c1ccc2ncn(CCCCl)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
RECQL P46063 1/20 0.47
MAPK10 P53779 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F10 P00742 2/20 0.45
TNF P01375 2/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE2A O00408 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL9038215 0.90 HPGD (0.53) NPC1RAB9ARECQLMAPK10SMN1; SMN2
SCHEMBL25998805 0.89 SIRT2 (0.49) NPC1RAB9ARECQLMAPK10SMN1; SMN2
SCHEMBL29738011 0.85 MEN1 (0.54) NPC1RAB9ARECQLMAPK10SMN1; SMN2
SCHEMBL6799725 0.84 NPC1 (0.49) NPC1RAB9ARECQLMAPK10SMN1; SMN2
SCHEMBL17103068 0.84 BRD4 (0.48) RAB9ASMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL4916141 0.83 NPC1 (0.48) NPC1RAB9ARECQLMAPK10SMN1; SMN2
SCHEMBL3353218 0.82 KCNH2 (0.49) NPC1RAB9AF10ALDH1A1HPGD
SCHEMBL1608602 0.82 SMN1; SMN2 (0.60) NPC1RAB9ARECQLMAPK10SMN1; SMN2
SCHEMBL24075008 0.82 HPGD (0.49) NPC1RAB9ARECQLMAPK10SMN1; SMN2
SCHEMBL25999218 0.81 SMN1; SMN2 (0.45) NPC1RAB9ARECQLMAPK10SMN1; 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