SCHEMBL8048173

SCHEMBL8048173

Cc1[nH]c(-c2nnc(Sc3nc(C(F)(F)F)c(C(=O)O)s3)n2-c2ccccc2)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOTUM Q6P988 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8047063 0.80 TSHR (0.51) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8042116 0.80 SMN1; SMN2 (0.41) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8044772 0.80 MAPT (0.38) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL8042649 0.79 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8044969 0.79 ALDH1A1 (0.45) MAPTALDH1A1HDAC6HPGDNPSR1
SCHEMBL8048718 0.79 RPA1 (0.50) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8043019 0.78 HDAC6 (0.38) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8044342 0.78 ALPG (0.43) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8044735 0.78 SMN1; SMN2 (0.40) MAPTHDAC6NPSR1HTTSMN1; SMN2
SCHEMBL8050060 0.77 HTT (0.46) MAPTALDH1A1MEN1KMT2ATSHR

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