SCHEMBL8048110

SCHEMBL8048110

Cc1ccc(Nc2nnc(S)s2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 3/20 0.51
NPC1 O15118 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPT P10636 7/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.47
OPRM1 P35372 1/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 2/20 0.38

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
SCHEMBL8033009 0.81 PLAU (0.34) SMN1; SMN2RAB9ALMNANPC1NFKB1
SCHEMBL8034037 0.78 RAPGEF4 (0.48) SMN1; SMN2MAPTRAPGEF4OPRM1TP53
SCHEMBL8032721 0.76 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ALMNANPC1NFKB1
SCHEMBL28365690 0.74 RAB9A (0.49) SMN1; SMN2RAB9ALMNANPC1NFKB1
SCHEMBL30320262 0.72 RAPGEF4 (0.74) SMN1; SMN2RAB9ALMNANPC1NFKB1
SCHEMBL1334869 0.72 RAPGEF4 (0.74) SMN1; SMN2RAB9ALMNANPC1NFKB1
SCHEMBL28188740 0.69 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ALMNANPC1NFKB1
SCHEMBL13401655 0.69 RAPGEF4 (0.45) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL14424576 0.68 MAPT (0.35) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL12749634 0.68 NPC1 (1.00) SMN1; SMN2RAB9ALMNANPC1NFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 US disclosed