SCHEMBL4590671

SCHEMBL4590671

Clc1cccc2sc(N3CCNCC3)nc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.74
RAB9A P51151 4/20 0.74
HPGD P15428 3/20 0.74
MAPT P10636 4/20 0.68
NPC1 O15118 3/20 0.68
LMNA P02545 3/20 0.68
PANK3 Q9H999 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
TSHR P16473 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SLC2A1 P11166 1/20 0.48
PDE10A Q9Y233 1/20 0.47
PRKCI P41743 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRB1 P08588 2/20 0.46

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
SCHEMBL8514102 0.82 MAPT (0.60) SMN1; SMN2RAB9AHPGDMAPTNPC1
SCHEMBL29519243 0.82 MAPT (0.68) SMN1; SMN2RAB9AHPGDMAPTNPC1
SCHEMBL20767920 0.82 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AHPGDMAPTNPC1
SCHEMBL5015061 0.82 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AHPGDMAPTNPC1
SCHEMBL5015059 0.82 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AHPGDMAPTNPC1
Hydrochloric Acid SCHEMBL4060481 0.81 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AHPGDMAPTNPC1
SCHEMBL17221901 0.79 RAB9A (0.48) SMN1; SMN2RAB9AHPGDMAPTNPC1
SCHEMBL4589964 0.79 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AHPGDMAPTNPC1
Hydrochloric Acid SCHEMBL4056520 0.78 ALDH1A1 (0.69) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL15065374 0.78 MAPT (0.55) SMN1; SMN2RAB9AHPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed