SCHEMBL8045211

SCHEMBL8045211

CCOC(=O)Cc1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 6/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL8042404 0.90 MAPT (0.45) KMT2AMEN1MAPTLMNATSHR
SCHEMBL8044267 0.89 PARP1 (0.49) KMT2AMEN1MAPTLMNATSHR
SCHEMBL8047850 0.85 MEN1 (0.44) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL8042084 0.84 ALDH1A1 (0.49) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL8042990 0.82 RAB9A (0.47) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL13731275 0.82 L3MBTL1 (0.60) KMT2AMEN1MAPTLMNATSHR
SCHEMBL8046042 0.81 SMN1; SMN2 (0.46) KMT2AMEN1MAPTTSHRRAB9A
SCHEMBL8048108 0.81 KMT2A (0.40) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL8032967 0.80 RAB9A (0.48) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL8032807 0.80 MEN1 (0.45) KMT2AMEN1MAPTLMNATSHR

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