SCHEMBL27469272

SCHEMBL27469272

Cc1c(-c2ccc3c(c2)OCO3)sc(N)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 3/20 0.48
▸ PRKCI P41743 1/20 0.48
▸ GRM6 O15303 6/20 0.46
▸ ALDH1A1 P00352 8/20 0.45
▸ HPGD P15428 5/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ PKM P14618 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ RIPK2 O43353 1/20 0.44

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
SCHEMBL7850695 0.84 PRKCZ (0.66) PRKCZPRKCIGRM6ALDH1A1HPGD
SCHEMBL5212225 0.82 RIPK2 (0.46) PRKCZPRKCIGRM6ALDH1A1HPGD
SCHEMBL27461391 0.76 GRM6 (0.60) GRM6ALDH1A1HPGDKDM4ENPSR1
SCHEMBL5245843 0.76 MAPT (0.54) PRKCZPRKCIALDH1A1HPGDKDM4E
SCHEMBL7957161 0.74 GRM6 (0.77) GRM6ALDH1A1HPGDKDM4ENPSR1
SCHEMBL2369127 0.74 PRKCZ (0.69) PRKCZPRKCIALDH1A1HPGDKDM4E
SCHEMBL13216170 0.73 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EPKMNPSR1
SCHEMBL7207512 0.72 GRM6 (0.71) GRM6ALDH1A1HPGDKDM4EPKM
SCHEMBL3909728 0.72 PTPN1 (0.47) SMN1; SMN2
SCHEMBL3384951 0.70 PRKCZ (0.66) PRKCZPRKCIGRM6ALDH1A1HPGD

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
CN-1106663-A Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-16 — — CN disclosed
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