SCHEMBL10477138

SCHEMBL10477138

CCCCCc1ccc(-c2ccccc2CCc2ccc(N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 2/20 0.47
HSD11B1 P28845 3/20 0.47
EP300 Q09472 1/20 0.46
KAT5 Q92993 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
MAOA P21397 2/20 0.44
PPARA Q07869 1/20 0.44
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL10477129 0.99 KDM4E (0.50) MAOBKDM4ERAB9AHSD17B10MEN1
SCHEMBL31746979 0.83 RARB (0.50) KDM4EHSD17B10MEN1ALDH1A1MAPT
SCHEMBL8376941 0.82 TSHR (0.67) MAOBHSD17B10HSD11B1EP300KAT5
SCHEMBL29434743 0.81 THRA (0.49) KDM4ERAB9AHSD17B10MEN1USP2
SCHEMBL12293773 0.81 HTR2A (0.64) MAOBKDM4ERAB9AHSD17B10MEN1
SCHEMBL353299 0.81 HTR2A (0.64) MAOBKDM4ERAB9AHSD17B10MEN1
SCHEMBL19381431 0.80 HTR2A (0.69) MAOBKDM4ERAB9AHSD17B10MEN1
SCHEMBL10905830 0.79 HTR2A (0.68) MAOBKDM4ERAB9AHSD17B10MEN1
SCHEMBL3700777 0.79 HTR2A (0.68) MAOBKDM4ERAB9AHSD17B10MEN1
SCHEMBL1312482 0.79 HTR2A (0.68) MAOBKDM4ERAB9AHSD17B10MEN1

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-4849130-A ISOTHIOCYANATES WOJSKOWA AKADEMIA TECHNICZNA (PL) 1989-07-18 US disclosed