SCHEMBL5803743

SCHEMBL5803743

C=CCn1c(SCC(=O)NC(CCCC)CNC(=O)C[S])nc2scc(-c3ccccc3)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ ALDH1A1 P00352 7/20 0.56
▸ POLB P06746 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ PKM P14618 4/20 0.56
▸ ALOX15 P16050 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.55
▸ MEN1 O00255 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ TGM2 P21980 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ RECQL P46063 3/20 0.49

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
SCHEMBL5803748 0.93 KMT2A (0.58) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL19079794 0.76 NPSR1 (0.68) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL6848893 0.73 KMT2A (0.66) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL5807546 0.71 NPSR1 (0.70) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL6034409 0.67 TGM2 (1.00) ALDH1A1MAPTNPSR1TGM2TP53
SCHEMBL6034354 0.66 TGM2 (1.00) ALDH1A1MAPTTGM2HTT
SCHEMBL6034215 0.64 TP53 (0.72) KMT2AALDH1A1MAPTNPSR1MEN1
SCHEMBL6037616 0.63 TGM2 (1.00) TGM2
SCHEMBL6033353 0.62 TGM2 (0.71) KMT2AALDH1A1MAPTHSD17B10TSHR
SCHEMBL6037657 0.61 TGM2 (1.00) TGM2

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
Send feedback