SCHEMBL10410969

SCHEMBL10410969

S=c1n(/N=C/c2ccccc2)ccn1/N=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.54
MAPT P10636 8/20 0.46
GAA P10253 6/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 4/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 6/20 0.42
APOBEC3G Q9HC16 5/20 0.42
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GFER P55789 2/20 0.42
MCL1 Q07820 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
SCHEMBL9661028 1.00 ALOX15 (0.54) ALOX15MAPTGAARAB9ASMN1; SMN2
SCHEMBL27498504 0.71 ALOX15 (0.43) ALOX15MAPTGAARAB9ASMN1; SMN2
SCHEMBL10410397 0.68 MEN1 (0.54) ALOX15MAPTGAARAB9ASMN1; SMN2
SCHEMBL10429290 0.68 NPC1 (0.44) ALOX15MAPTGAARAB9ASMN1; SMN2
SCHEMBL9661945 0.68 NPC1 (0.44) ALOX15MAPTGAARAB9ASMN1; SMN2
SCHEMBL9661641 0.68 MEN1 (0.54) ALOX15MAPTGAARAB9ASMN1; SMN2
SCHEMBL11268402 0.67 CRBN (0.47) ALOX15MAPTGAARAB9ASMN1; SMN2
SCHEMBL11268394 0.67 CRBN (0.47) ALOX15MAPTGAARAB9ASMN1; SMN2
SCHEMBL16773839 0.67 MAPT (0.61) ALOX15MAPTGAARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10429295 0.64 MEN1 (0.46) ALOX15MAPTGAARAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956470-A BACTERICIDES, FUNGICIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS HOFFMANN-LA ROCHE INC. (US) 1990-09-11 US disclosed
US-4908363-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1990-03-13 US disclosed
US-4814332-A PARASITICIDES HOFFMAN-LA ROCHE INC. (US) 1989-03-21 US disclosed
EP-0253084-A2 1,3-Disubstituted imidazolium salts F. HOFFMANN-LA ROCHE AG (CH) 1988-01-20 EP disclosed