SCHEMBL8032463

SCHEMBL8032463

CC(C)(C)n1nnnc1Sc1ncc(NC(=O)c2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
USP2 O75604 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL8051066 0.86 RAB9A (0.44) ALDH1A1LMNATP53SMN1; SMN2NPC1
SCHEMBL8048297 0.83 HDAC6 (0.45) POLBUSP2ALDH1A1LMNATP53
SCHEMBL8034295 0.83 NPC1 (0.42) POLBUSP2ALDH1A1TP53SMN1; SMN2
SCHEMBL8042810 0.83 ALDH1A1 (0.43) PKMUSP2TSHRALDH1A1LMNA
SCHEMBL8050828 0.83 ALDH1A1 (0.48) POLBPKMUSP2TSHRALDH1A1
SCHEMBL8042886 0.82 KDM4E (0.44) POLBTSHRALDH1A1LMNAKDM4E
SCHEMBL8042762 0.81 NPC1 (0.41) USP2TSHRALDH1A1LMNATP53
SCHEMBL8032670 0.80 ALDH1A1 (0.51) PKMTSHRALDH1A1LMNAKDM4E
SCHEMBL8051230 0.80 TP53 (0.46) PKMUSP2TSHRALDH1A1LMNA
SCHEMBL8050797 0.80 MAPK1 (0.40) USP2TSHRALDH1A1LMNATP53

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