SCHEMBL10693572

SCHEMBL10693572

CCCCCc1cnc(-c2ccc(OCc3ccc(CCC)cc3)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MEN1 O00255 2/20 0.58
USP2 O75604 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
RARB P10826 1/20 0.54
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HRH3 Q9Y5N1 2/20 0.51
NPC1 O15118 5/20 0.50
STAT3 P40763 1/20 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
SCHEMBL10692454 1.00 RAB9A (0.58) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL10695500 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL10691457 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL10692663 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL10694367 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL10605030 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL9435610 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL10694436 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL10694221 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL10691959 0.99 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10

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
US-4776973-A LIQUID CRYSTAL ELECTROOPTICS DISPLAY DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-10-11 US disclosed