SCHEMBL8043113

SCHEMBL8043113

O=C(O)Cc1csc(Sc2nnc(-c3cccs3)n2CCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
CPB1 P15086 1/20 0.47
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NPC1 O15118 3/20 0.44
TSHR P16473 5/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL8033896 0.85 NPC1 (0.54) RAB9AUSP2ALDH1A1MAPTKDM4E
SCHEMBL8048032 0.84 RECQL (0.41) RAB9ACPB1HPGDALDH1A1MAPT
SCHEMBL8047188 0.84 MEN1 (0.53) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL8033238 0.83 RAB9A (0.52) RAB9ACPB1HPGDUSP2ALDH1A1
SCHEMBL8043598 0.83 RECQL (0.55) HPGDUSP2ALDH1A1MAPTKDM4E
SCHEMBL8041907 0.82 RAB9A (0.47) RAB9ACPB1HPGDUSP2ALDH1A1
SCHEMBL8050622 0.82 MEN1 (0.40) RAB9ACPB1HPGDUSP2ALDH1A1
SCHEMBL8043119 0.79 ALDH1A1 (0.48) RAB9AHPGDUSP2ALDH1A1MAPT
SCHEMBL8041830 0.78 CPB1 (0.47) RAB9ACPB1HPGDUSP2ALDH1A1
SCHEMBL8042512 0.78 RAB9A (0.50) RAB9ACPB1HPGDUSP2ALDH1A1

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