SCHEMBL8042886

SCHEMBL8042886

CCCn1nnnc1Sc1ncc(NC(=O)c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL8033862 0.94 POLB (0.47) KDM4ELMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL8034295 0.92 NPC1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL8045074 0.89 RAB9A (0.41) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8042762 0.88 NPC1 (0.41) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8042742 0.88 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL8032670 0.87 ALDH1A1 (0.51) KDM4ELMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL8051066 0.86 RAB9A (0.44) LMNATDP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL8710516 0.84 RAB9A (0.37) KDM4ELMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL8049035 0.83 L3MBTL1 (0.39) KDM4ELMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL8050797 0.82 MAPK1 (0.40) LMNAALDH1A1SMN1; SMN2NPC1RAB9A

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