SCHEMBL8043684

SCHEMBL8043684

NC(=O)Cc1nnc(Sc2nc(-c3ccccc3)cs2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTT P42858 1/20 0.43
F2 P00734 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.42
SCN9A Q15858 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8043462 0.90 RAB9A (0.47) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8042084 0.88 ALDH1A1 (0.49) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8044700 0.83 RAB9A (0.48) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8051288 0.83 RAB9A (0.46) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8044267 0.83 PARP1 (0.49) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8046099 0.81 RAB9A (0.46) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8033209 0.81 HTR1A (0.49) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8046645 0.81 ALDH1A1 (0.39) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8048154 0.80 ALDH1A1 (0.48) RAB9AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL8047850 0.80 MEN1 (0.44) RAB9AALDH1A1LMNAL3MBTL1MEN1

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed