SCHEMBL8047418

SCHEMBL8047418

CS(=O)(=O)CCCCCn1c(Sc2nc(C(F)(F)F)c(C(=O)O)s2)nnc1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
GAA P10253 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
MIF P14174 1/20 0.35
KDM4E B2RXH2 3/20 0.35
CPB1 P15086 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL8051659 0.86 KMT2A (0.49) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8042411 0.86 KMT2A (0.39) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8042695 0.83 CPB1 (0.43) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8044639 0.83 HDAC6 (0.49) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8032404 0.82 MEN1 (0.36) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL8044607 0.81 KMT2A (0.40) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8033172 0.80 MAPT (0.38) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8044219 0.80 TSHR (0.38) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL8043169 0.79 HSP90AA1 (0.46) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8050622 0.79 MEN1 (0.40) KMT2AMEN1POLBNPC1RAB9A

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