SCHEMBL8041962

SCHEMBL8041962

Cn1cnnc1Sc1nc2ccc(S(C)(=O)=O)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
KMT2A Q03164 4/20 0.46
HTT P42858 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
PIP4K2C Q8TBX8 1/20 0.42
ACP1 P24666 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ILK Q13418 1/20 0.41

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
SCHEMBL8044591 0.82 PKM (0.46) PKMKMT2AHTTMAPTSMN1; SMN2
SCHEMBL8033856 0.82 PKM (0.46) PKMKMT2AHTTMAPTSMN1; SMN2
SCHEMBL8046347 0.81 PDK1 (0.60) KMT2AHTTMAPTSMN1; SMN2LMNA
SCHEMBL8032955 0.80 ALDH1A1 (0.49) KMT2AHTTMAPTSMN1; SMN2LMNA
SCHEMBL8043094 0.80 ALDH1A1 (0.44) PKMKMT2AHTTMAPTSMN1; SMN2
SCHEMBL8034241 0.78 ALDH1A1 (0.50) KMT2AHTTMAPTSMN1; SMN2LMNA
SCHEMBL8042747 0.78 PKM (0.42) PKMKMT2AHTTMAPTSMN1; SMN2
SCHEMBL8044955 0.78 USP2 (0.48) PKMKMT2AHTTMAPTSMN1; SMN2
SCHEMBL8044433 0.78 KMT2A (0.47) PKMKMT2AHTTMAPTSMN1; SMN2
SCHEMBL8049026 0.77 PKM (0.46) PKMKMT2AHTTMAPTSMN1; SMN2

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