SCHEMBL8047422

SCHEMBL8047422

CCOc1ccc(OCC)c2[nH]c(S)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CBFB Q13951 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 5/20 0.37
DAO P14920 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
PDE5A O76074 1/20 0.33
GUSB P08236 1/20 0.33
TLR8 Q9NR97 1/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 2/20 0.32

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
SCHEMBL9306376 0.78 ALDH1A1 (0.43) KDM4EMAPK1CBFBALDH1A1DAO
SCHEMBL9306381 0.76 CBFB (0.59) KDM4EMAPK1HSD17B10CBFBTSHR
SCHEMBL6376433 0.72 PDE4A (0.45) CBFBALDH1A1DAOMAPTSMN1; SMN2
SCHEMBL6407612 0.70 KDM4E (0.42) KDM4EMAPK1HSD17B10CBFBTSHR
SCHEMBL9304646 0.67 ALDH1A1 (0.35) KDM4EMAPK1TSHRALDH1A1MAPT
SCHEMBL9304640 0.67 ALDH1A1 (0.35) KDM4EMAPK1TSHRALDH1A1MAPT
SCHEMBL11479180 0.67 ALDH1A1 (0.50) KDM4EMAPK1HSD17B10CBFBTSHR
SCHEMBL10333342 0.67 LMNA (0.39) KDM4EHSD17B10CBFBTSHRALDH1A1
SCHEMBL6402519 0.62 KDM4E (0.41) KDM4EMAPK1HSD17B10ALDH1A1PKM
SCHEMBL917239 0.61 NPC1 (0.61) KDM4EMAPK1HSD17B10CBFBTSHR

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