SCHEMBL10959629

SCHEMBL10959629

COc1ccc(-c2[nH]cnc2-c2cccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.59
MAPT P10636 8/20 0.48
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.43
PPARG P37231 2/20 0.43
NCOA2 Q15596 2/20 0.43
NCOA1 Q15788 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
IDO1 P14902 2/20 0.43
PDPK1 O15530 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL10955154 0.84 MAPT (0.56) PDE10AMAPTKDM4ENPC1RAB9A
SCHEMBL10955026 0.82 KDM4E (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10956622 0.81 IDO1 (0.47) PDE10AMAPTKDM4EALDH1A1MEN1
SCHEMBL1173733 0.80 MAPT (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6453590 0.78 MAPT (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL704825 0.78 PDE10A (0.59) PDE10AMAPTKDM4ENPC1RAB9A
SCHEMBL10959632 0.77 NPC1 (0.50) PDE10AMAPTKDM4ENPC1RAB9A
SCHEMBL27936878 0.77 MAPT (0.69) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL23951 0.75 MAPT (0.59) PDE10AMAPTKDM4ENPC1RAB9A
SCHEMBL10810821 0.74 PDE10A (1.00) PDE10AMAPTKDM4EALDH1A1MEN1

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-4524123-A POLYETHERSILOXANE COPOLYMERS, HIGH MOLECULAR WEIGHT POLYETHYLEN, AND EMULSIFIER AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-06-18 US disclosed