SCHEMBL8041830

SCHEMBL8041830

O=C(O)c1cnc(Sc2nnc(-c3cccs3)n2CCc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.47
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.44
LMNA P02545 4/20 0.43
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 2/20 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
SCHEMBL8044230 0.85 RAB9A (0.47) CPB1USP2HPGDRAB9ANPC1
SCHEMBL8046882 0.84 RECQL (0.41) CPB1HPGDRAB9ANPC1TSHR
SCHEMBL8045746 0.84 KMT2A (0.53) HPGDRAB9ANPC1LMNATSHR
SCHEMBL8042494 0.83 HDAC6 (0.56) USP2RAB9ANPC1TSHRALDH1A1
SCHEMBL8051528 0.83 USP2 (0.45) CPB1USP2HPGDRAB9ANPC1
SCHEMBL8050456 0.83 RAB9A (0.45) CPB1USP2HPGDRAB9ANPC1
SCHEMBL8051906 0.83 RAB9A (0.45) CPB1USP2HPGDRAB9ANPC1
SCHEMBL8034049 0.82 TSHR (0.58) USP2HPGDTSHRHTTALDH1A1
SCHEMBL8044607 0.82 KMT2A (0.40) CPB1USP2HPGDRAB9ANPC1
SCHEMBL8042512 0.80 RAB9A (0.50) CPB1USP2HPGDRAB9ANPC1

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