SCHEMBL8047478

SCHEMBL8047478

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.42
CLK1 P49759 1/20 0.42
MEN1 O00255 3/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ACP1 P24666 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ILK Q13418 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8033856 0.85 PKM (0.46) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8043670 0.83 PKM (0.44) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8049026 0.83 PKM (0.46) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8042951 0.82 PDK1 (0.56) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL8042101 0.81 HPGD (0.45) KMT2ASMN1; SMN2LMNATP53MAPT
SCHEMBL8042747 0.81 PKM (0.42) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8052304 0.81 ALDH1A1 (0.49) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8032424 0.81 PKM (0.45) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8033619 0.81 PKM (0.40) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8044910 0.79 NPC1 (0.43) PKMKMT2ASMN1; SMN2LMNATP53

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