SCHEMBL8390004

SCHEMBL8390004

Nc1ccc(N=Nc2nc3ccccc3s2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 3/20 1.00
MAPT P10636 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 3/20 0.50
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
SENP7 Q9BQF6 3/20 0.49
MCL1 Q07820 2/20 0.49
RAB9A P51151 2/20 0.49
CASP3 P42574 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GLO1 Q04760 1/20 0.39

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
SCHEMBL8390003 1.00 INSR (1.00) INSRMAPTKMT2AMEN1TDP1
SCHEMBL8767772 0.82 INSR (0.69) INSRMAPTKMT2AMEN1TDP1
SCHEMBL1506734 0.79 INSR (0.65) INSRMAPTKMT2AMEN1TDP1
SCHEMBL31314986 0.79 INSR (0.65) INSRMAPTKMT2AMEN1TDP1
SCHEMBL10781114 0.76 INSR (0.61) INSRMAPTKMT2AMEN1TDP1
SCHEMBL10781118 0.76 INSR (0.61) INSRMAPTKMT2AMEN1TDP1
SCHEMBL16252394 0.76 INSR (0.66) INSRMAPTKMT2AMEN1TDP1
SCHEMBL8653147 0.76 TDP1 (0.80) INSRMAPTKMT2AMEN1TDP1
SCHEMBL22299612 0.75 INSR (0.60) INSRMAPTKMT2AMEN1TDP1
SCHEMBL21466084 0.74 INSR (0.58) INSRMAPTKMT2AMEN1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001331-A INTRODUCING INTO PATIENT BENZYLTHIAZOL-3-IUM DERIVATIVES OF GIVEN FORMULA; ALLOWING TIME FOR COMPOUND TO ASSOCIATE WITH AMYLOID; DETECTING THE LABELED COMPOUND ASSOCIATED WITH AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1999-12-14 US claimed
WO-1997026919-A2 METHOD OF IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1997-07-31 WO claimed
US-6001331-A INTRODUCING INTO PATIENT BENZYLTHIAZOL-3-IUM DERIVATIVES OF GIVEN FORMULA; ALLOWING TIME FOR COMPOUND TO ASSOCIATE WITH AMYLOID; DETECTING THE LABELED COMPOUND ASSOCIATED WITH AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
WO-1997026919-A2 METHOD OF IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1997-07-31 WO disclosed