SCHEMBL8042755

SCHEMBL8042755

CC(C)(C)n1nnnc1Sc1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
ALDH1A1 P00352 9/20 0.43
MAPT P10636 7/20 0.43
HPGD P15428 6/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MITF O75030 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43

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
SCHEMBL8043375 0.85 SMN1; SMN2 (0.45) HCAR3ALDH1A1MAPTHPGDNFKB1
SCHEMBL8042101 0.83 HPGD (0.45) HCAR3ALDH1A1MAPTHPGDNFKB1
SCHEMBL8050451 0.83 MAPT (0.47) HCAR3ALDH1A1MAPTHPGDNFKB1
SCHEMBL8043106 0.82 MEN1 (0.45) ALDH1A1MAPTHPGDPOLBRECQL
SCHEMBL8033820 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDNFKB1NFKB2
SCHEMBL8048558 0.81 HCAR3 (0.46) HCAR3ALDH1A1MAPTHPGDNFKB1
SCHEMBL8050220 0.80 MAPT (0.43) ALDH1A1MAPTHPGDNFKB1NFKB2
SCHEMBL8049026 0.80 PKM (0.46) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL8044411 0.80 KMT2A (0.55) ALDH1A1MAPTHPGDNFKB1NFKB2
SCHEMBL8050953 0.80 PDK1 (0.56) ALDH1A1MAPTNPC1RAB9APOLB

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