SCHEMBL9850844

SCHEMBL9850844

CCCCCCCc1cnc(O)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
STAT3 P40763 1/20 0.54
ATM Q13315 1/20 0.54
PTGS2 P35354 4/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53

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
SCHEMBL10826754 1.00 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1STAT3
Hydrochloric Acid SCHEMBL10826983 0.98 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL7910575 0.98 PTGS2 (0.52) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL28055917 0.81 RARB (0.50) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL12186156 0.81 RARB (0.50) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL12186163 0.81 RARB (0.50) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL14028263 0.80 MAPT (0.55) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL7508556 0.79 RARB (0.49) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL8126315 0.79 RARB (0.49) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL4478012 0.79 RARB (0.49) MAPTRAB9ASMN1; SMN2NPC1STAT3

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
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed