SCHEMBL8042649

SCHEMBL8042649

Cc1[nH]c(-c2nnc(Sc3nc(C(C)(C)C)c(Br)s3)n2-c2ccccc2)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PARP1 P09874 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
PTK2 Q05397 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8034059 0.88 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8043571 0.80 ATM (0.43) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL8043099 0.80 TSHR (0.57) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8046642 0.80 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8050060 0.80 HTT (0.46) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8048173 0.79 MAPT (0.36) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL8716255 0.79 TP53 (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8044131 0.78 RPA1 (0.44) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8051017 0.78 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8043752 0.78 KDM4E (0.48) ALDH1A1TSHRMEN1KMT2AKDM4E

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