SCHEMBL6002303

SCHEMBL6002303

Cc1ccccc1NC(C)S

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
P2RX7 Q99572 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL4750832 0.81 MAPT (0.50) MAPTHTTNPC1RAB9AHPGD
SCHEMBL245209 0.81 MAPT (0.50) MAPTHTTNPC1RAB9AHPGD
SCHEMBL30461968 0.81 MAPT (0.50) MAPTHTTNPC1RAB9AHPGD
SCHEMBL26385190 0.77 NPC1 (0.48) MAPTHTTNPC1RAB9AHPGD
SCHEMBL21675477 0.77 MAPT (0.46) MAPTHTTNPC1RAB9AHPGD
SCHEMBL22643737 0.77 MAPT (0.46) MAPTHTTNPC1RAB9AHPGD
SCHEMBL18904614 0.77 MAPT (0.46) MAPTHTTNPC1RAB9AHPGD
SCHEMBL2230553 0.77 NPC1 (0.48) MAPTHTTNPC1RAB9AHPGD
SCHEMBL17716129 0.76 MAPT (0.45) MAPTHTTNPC1RAB9AHPGD
SCHEMBL19399594 0.76 MAPT (0.45) MAPTHTTNPC1RAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813424-B2 ORAL PHARMACEUTICAL DOSAGE FORMS COMPRISING A PROTON PUMP INHIBITOR AND AN ANTACID AGENT OR ALGINATE ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
US-20060199917-A1 thermoplastic elastomer exhibiting high recyclability and oil resistance as well as excellent mechanical strength, and in particular, excellent resistance to compression set is provided. The thermoplastic resin with epoxy, hydroxy or nitrogen groups in backbone YOKOHAMA RUBBER CO., LTD., THE (JP) 2006-09-07 US disclosed