SCHEMBL8044591

SCHEMBL8044591

Cc1nnc(Sc2nc3ccc(S(C)(=O)=O)cc3s2)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
ILK Q13418 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACP1 P24666 1/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8043094 0.85 ALDH1A1 (0.44) PKMSMN1; SMN2KMT2ATP53MAPT
SCHEMBL8044955 0.83 USP2 (0.48) PKMSMN1; SMN2KMT2ATP53MAPT
SCHEMBL8041962 0.82 PKM (0.47) PKMSMN1; SMN2KMT2ATP53MAPT
SCHEMBL8033856 0.81 PKM (0.46) PKMSMN1; SMN2KMT2ATP53MAPT
SCHEMBL8044191 0.81 PDK1 (0.60) SMN1; SMN2KMT2AMAPTLMNAHTT
SCHEMBL8044433 0.79 KMT2A (0.47) PKMSMN1; SMN2KMT2ATP53MAPT
SCHEMBL8033879 0.79 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ATP53MAPTLMNA
SCHEMBL8044884 0.78 PKM (0.50) PKMSMN1; SMN2KMT2ATP53MAPT
SCHEMBL8042817 0.77 ALDH1A1 (0.50) SMN1; SMN2KMT2ATP53MAPTLMNA
SCHEMBL8042747 0.77 PKM (0.42) PKMSMN1; SMN2KMT2ATP53MAPT

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed