SCHEMBL8048239

SCHEMBL8048239

CN(C)c1ccc(-n2nnnc2Sc2nc3ccccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
HPGD P15428 3/20 0.55
TSHR P16473 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
RAB9A P51151 8/20 0.49
MAPT P10636 6/20 0.49
USP2 O75604 2/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 3/20 0.47
POLB P06746 3/20 0.45
APP P05067 2/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
LMNA P02545 6/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL8711779 0.90 ALDH1A1 (0.47) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8046562 0.87 ALDH1A1 (0.70) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8048209 0.85 ALDH1A1 (0.56) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8046524 0.85 ALDH1A1 (0.58) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8043211 0.84 ALDH1A1 (0.69) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8042026 0.83 HSP90AA1 (0.42) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8045992 0.82 ALDH1A1 (0.58) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL8035046 0.81 PTGS2 (0.53) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL8042660 0.81 ALDH1A1 (0.45) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL8045485 0.81 ALDH1A1 (0.57) ALDH1A1HPGDTSHRL3MBTL1RAB9A

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