SCHEMBL8042877

SCHEMBL8042877

O=C(O)CCc1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
ABL1 P00519 1/20 0.40
PTGES O14684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.38

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
SCHEMBL8051288 0.90 RAB9A (0.46) HDAC6KMT2AMEN1NPC1RAB9A
SCHEMBL8047850 0.88 MEN1 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8048496 0.86 MEN1 (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8042404 0.85 MAPT (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8032967 0.83 RAB9A (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8032807 0.83 MEN1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8044404 0.83 ATM (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8042084 0.83 ALDH1A1 (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8048236 0.82 MAPT (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8042990 0.81 RAB9A (0.47) KMT2AMEN1NPC1RAB9ASMN1; 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 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