SCHEMBL8042780

SCHEMBL8042780

CS(=O)(=O)c1ccc2nc(Sc3nnn(CC(=O)O)n3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
ACP1 P24666 1/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CLK1 P49759 1/20 0.41
WNT3A P56704 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 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
SCHEMBL8041873 0.88 SMN1; SMN2 (0.45) ACP1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8047172 0.86 SMN1; SMN2 (0.44) ACP1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8045286 0.85 KMT2A (0.46) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL8043141 0.84 SMN1; SMN2 (0.42) ACP1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8045221 0.83 ALDH1A1 (0.45) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8041797 0.83 SMN1; SMN2 (0.45) KDM4ETSHRALDH1A1HPGDKMT2A
SCHEMBL8047843 0.82 PDK1 (0.53) KDM4ETSHRACP1ALDH1A1KMT2A
SCHEMBL8044433 0.82 KMT2A (0.47) TSHRACP1ALDH1A1HPGDKMT2A
SCHEMBL8043551 0.82 SMN1; SMN2 (0.51) TSHRALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8043976 0.80 KDM4E (0.43) KDM4ETSHRACP1ALDH1A1HPGD

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