SCHEMBL8042398

SCHEMBL8042398

Nc1nnc(Sc2nc3ccc(C(=O)O)cc3s2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
RECQL P46063 2/20 0.52
GAA P10253 2/20 0.52
PAX8 Q06710 2/20 0.52
MITF O75030 2/20 0.52
GFER P55789 1/20 0.52
KLF5 Q13887 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49

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
SCHEMBL8044712 0.85 NPC1 (0.49) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8044393 0.82 NFKB1 (0.47) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8046566 0.82 NPC1 (0.44) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8042518 0.81 KDM4E (0.66) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8045512 0.81 SMN1; SMN2 (0.46) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8043161 0.81 LMNA (0.46) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8043180 0.81 NFKB1 (0.46) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8038022 0.81 SMN1; SMN2 (0.46) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8042059 0.81 SMN1; SMN2 (0.46) HPGDALDH1A1NPC1RAB9ANFKB1
SCHEMBL8042313 0.81 NFKB1 (0.45) HPGDALDH1A1NPC1RAB9ANFKB1

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