SCHEMBL8044267

SCHEMBL8044267

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
RECQL P46063 1/20 0.48
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
USP2 O75604 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
GSTO1 P78417 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL8045211 0.89 KMT2A (0.48) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL8047523 0.89 PARP1 (0.53) PARP1RECQLMAPTTDP1HSD17B10
SCHEMBL8043462 0.85 RAB9A (0.47) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL8043684 0.83 RAB9A (0.48) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL8046042 0.83 SMN1; SMN2 (0.46) MAPTHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL8048108 0.83 KMT2A (0.40) MAPTTDP1HSD17B10ALDH1A1KMT2A
SCHEMBL8033209 0.81 HTR1A (0.49) RECQLMAPTTDP1ALDH1A1KMT2A
SCHEMBL8048077 0.80 MAPT (0.51) RECQLMAPTTDP1HSD17B10ALDH1A1
SCHEMBL8042404 0.79 MAPT (0.45) PARP1RECQLMAPTTDP1ALDH1A1
SCHEMBL8050659 0.79 RAB9A (0.48) MAPTTDP1ALDH1A1KMT2AMEN1

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