SCHEMBL8047853

SCHEMBL8047853

Cc1csc(Sc2nnnn2-c2ccc([N+](=O)[O-])s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 7/20 0.37
MITF O75030 2/20 0.37
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 4/20 0.35
PSMD14 O00487 1/20 0.35
HTT P42858 3/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL8049863 0.83 MAPT (0.43) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL8042326 0.82 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL8045804 0.81 KDM1A (0.39) KMT2AMEN1SMN1; SMN2LMNACYP1A2
SCHEMBL8043591 0.81 KMT2A (0.37) KMT2AMEN1SMN1; SMN2LMNACYP1A2
SCHEMBL8042606 0.81 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2LMNACYP1A2
SCHEMBL8043929 0.81 MAPK8 (0.47) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL8043087 0.80 ALDH1A1 (0.36) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL8049792 0.80 KMT2A (0.35) KMT2AMEN1SMN1; SMN2LMNACYP1A2
SCHEMBL8041970 0.78 EIF4E (0.40) KMT2AMEN1SMN1; SMN2LMNACYP1A2
SCHEMBL8042232 0.78 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2LMNACYP1A2

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