SCHEMBL8042404

SCHEMBL8042404

CCOC(=O)CCc1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
TSHR P16473 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
PARP1 P09874 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
ENPP2 Q13822 1/20 0.39
MAPK1 P28482 1/20 0.39

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 0.90 KMT2A (0.48) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL8047523 0.90 PARP1 (0.53) MAPTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8042877 0.85 HDAC6 (0.44) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL8032967 0.83 RAB9A (0.48) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8048236 0.82 MAPT (0.44) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8043002 0.82 MEN1 (0.43) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL8043408 0.82 KMT2A (0.38) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8048496 0.81 MEN1 (0.43) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL8042990 0.80 RAB9A (0.47) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8044267 0.79 PARP1 (0.49) MAPTTSHRLMNAMEN1KMT2A

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