SCHEMBL8044131

SCHEMBL8044131

CC(C)(C)c1nc(Sc2nnc(-c3cc4ccccc4s3)n2-c2ccccc2)sc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.44
TSHR P16473 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP1 P09874 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PTK2 Q05397 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL8033921 0.87 RPA1 (0.47) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8043099 0.84 TSHR (0.57) TSHRKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL8046211 0.80 RPA1 (0.48) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8043571 0.80 ATM (0.43) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8046642 0.80 ALDH1A1 (0.36) TSHRKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL8042687 0.79 RPA1 (0.48) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8716255 0.79 TP53 (0.43) TSHRKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL8042649 0.78 ALDH1A1 (0.36) TSHRKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL8048718 0.78 RPA1 (0.50) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8046872 0.78 RPA1 (0.52) RPA1TSHRKDM4EHSD17B10ALDH1A1

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