SCHEMBL7760034

SCHEMBL7760034

COc1ccc(CSc2ccccc2NC(=O)NCCN(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
FPR2 P25090 1/20 0.47
HDAC3 O15379 1/20 0.45
NCOR1 O75376 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HPGD P15428 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 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
SCHEMBL7760879 0.87 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL6293768 0.82 KDM4E (0.60) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL7760889 0.81 MEN1 (0.56) NPC1RAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL7761944 0.81 KMT2A (0.67) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7756925 0.79 NPC1 (0.49) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL7300289 0.76 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8495430 0.73 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL3083077 0.72 NTRK1 (0.57) ALDH1A1ATM
SCHEMBL7760048 0.71 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL8574185 0.71 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed