SCHEMBL8044514

SCHEMBL8044514

Cn1c(Sc2ncc(NC(=O)c3ccccc3)s2)nnc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 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
SCHEMBL8045350 0.88 SMN1; SMN2 (0.39) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8043076 0.86 TP53 (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8044457 0.80 HDAC6 (0.57) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8051066 0.80 RAB9A (0.44) NPC1RAB9AALDH1A1RXFP1SMN1; SMN2
SCHEMBL8032973 0.80 CBLB (0.48) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL8032463 0.79 POLB (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8041902 0.78 MAPT (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8042810 0.77 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8044746 0.76 RXRA (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8042886 0.76 KDM4E (0.44) NPC1RAB9AALDH1A1MEN1KMT2A

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