SCHEMBL8044735

SCHEMBL8044735

Cc1[nH]c(-c2nnc(Sc3nc4ccc(C(=O)O)cc4s3)n2-c2ccccc2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ILK Q13418 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SLC11A2 P49281 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL8050060 0.86 HTT (0.46) SMN1; SMN2KDM4ELMNAHSD17B10MAPT
SCHEMBL8044446 0.86 KMT2A (0.41) SMN1; SMN2KDM4ELMNAILKHSD17B10
SCHEMBL8045077 0.84 PDK1 (0.46) SMN1; SMN2LMNAPTPN1NPC1TP53
SCHEMBL8043741 0.81 TP53 (0.51) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8049971 0.81 RPA1 (0.49) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8042609 0.81 SMN1; SMN2 (0.42) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8042984 0.81 TSHR (0.50) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8042974 0.80 KDM4E (0.52) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8050930 0.79 NFKB1 (0.45) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8042199 0.78 ALPG (0.46) KDM4ELMNANPC1RAB9AMAPT

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