SCHEMBL8043571

SCHEMBL8043571

CC(C)(C)c1nc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)sc1Br

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TERT O14746 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
HPGD P15428 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL8051092 0.86 ATM (0.47) ATMSMN1; SMN2TERTHTTMEN1
SCHEMBL8043099 0.82 TSHR (0.57) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8046642 0.82 ALDH1A1 (0.36) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8716255 0.81 TP53 (0.43) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8042649 0.80 ALDH1A1 (0.36) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8044131 0.80 RPA1 (0.44) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8043752 0.79 KDM4E (0.48) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8047373 0.78 SMN1; SMN2 (0.47) ATMSMN1; SMN2HTTMEN1KMT2A
SCHEMBL8042116 0.77 SMN1; SMN2 (0.41) ATMSMN1; SMN2HTTMEN1KMT2A
SCHEMBL8051302 0.77 ATM (0.48) ATMSMN1; SMN2HTTMEN1KMT2A

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