SCHEMBL8043237

SCHEMBL8043237

Cc1[nH]c(-c2nnc(Sc3ncc(Cl)s3)n2-c2ccccc2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TERT O14746 1/20 0.33
PKM P14618 1/20 0.33
TLR5 O60602 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP1 P09874 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8044387 0.85 TSHR (0.37) TSHRALDH1A1MEN1KMT2ASIRT2
SCHEMBL8043019 0.85 HDAC6 (0.38) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8047165 0.83 NPC1 (0.44) TSHRALDH1A1MEN1KMT2ASIRT2
SCHEMBL8043803 0.81 HDAC6 (0.41) TSHRHSD17B10PKMPOLBMAPT
SCHEMBL8042081 0.81 TSHR (0.44) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8051017 0.79 ALDH1A1 (0.41) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8042069 0.79 LMNA (0.40) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8050060 0.79 HTT (0.46) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL8034059 0.79 ALDH1A1 (0.39) TSHRALDH1A1MEN1KMT2ASIRT2
SCHEMBL8042581 0.78 ATM (0.47) TSHRALDH1A1MEN1KMT2ATERT

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