SCHEMBL8044607

SCHEMBL8044607

CS(=O)(=O)CCCCCn1c(Sc2ncc(C(=O)O)s2)nnc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP3A4 P08684 3/20 0.39
GAA P10253 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
MIF P14174 1/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 4/20 0.38
CPB1 P15086 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL8051692 0.87 KDM4E (0.38) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8050087 0.86 KMT2A (0.40) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8046882 0.85 RECQL (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8045746 0.85 KMT2A (0.53) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8048417 0.84 NPC1 (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8050094 0.83 NPC1 (0.44) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8050300 0.82 KDM4E (0.40) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8041830 0.82 CPB1 (0.47) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8042494 0.81 HDAC6 (0.56) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8047418 0.81 KMT2A (0.38) KMT2AMEN1ALDH1A1NPC1RAB9A

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