SCHEMBL8044871

SCHEMBL8044871

CC(C)(C)c1nc(Sc2nnc(CCc3ccccc3)s2)sc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 5/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SRC P12931 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8046506 0.89 ALDH1A1 (0.40) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL8042760 0.84 ATM (0.47) ATMRAB9ANPC1POLBL3MBTL1
SCHEMBL8032336 0.82 PTGS1 (0.32)
SCHEMBL8046531 0.81 PTGS1 (0.32)
SCHEMBL8042604 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8042113 0.80 HDAC6 (0.43) ATMRAB9ANPC1POLBMEN1
SCHEMBL8033002 0.79 PTGS1 (0.33) ALDH1A1GAA
SCHEMBL8042342 0.78 PTGS1 (0.33) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL8043229 0.77 MEN1 (0.36) RAB9AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8043938 0.76 POLB (0.37) POLBSMN1; 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