SCHEMBL9722543

SCHEMBL9722543

Cn1cnc2c(-c3ccccc3)cccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.59
▸ AKT1 P31749 1/20 0.47
▸ NSD3 Q9BZ95 1/20 0.42
▸ NR1H4 Q96RI1 3/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ MET P08581 1/20 0.40
▸ CYP17A1 P05093 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GRM5 P41594 1/20 0.37

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
SCHEMBL27249844 0.88 PDE10A (0.50) DPP4NSD3CYP17A1CYP1A2PDE10A
SCHEMBL12970144 0.85 HSD11B1 (0.45) DPP4AKT1NR1H4HSD11B1CYP17A1
SCHEMBL27249454 0.82 CYP17A1 (0.47) DPP4CYP17A1CYP1A2PDE10AALDH1A1
SCHEMBL12969932 0.82 DPP4 (0.46) DPP4AKT1NR1H4CYP17A1CYP1A2
SCHEMBL27249842 0.81 CYP17A1 (0.43) DPP4CYP17A1CYP1A2DDB1CRBN
SCHEMBL12970089 0.80 DPP4 (0.41) DPP4AKT1NR1H4CYP17A1CYP1A2
SCHEMBL25478930 0.79 HTT (0.55) NR1H4CYP17A1ALDH1A1
SCHEMBL31221221 0.77 NR1H4 (0.50) NR1H4CYP17A1CYP1A2DHODH
SCHEMBL23579933 0.77 DPP4 (0.54) DPP4AKT1NSD3DPP8CYP1A2
SCHEMBL12970435 0.76 DPP4 (0.40) DPP4NR1H4CYP17A1CYP1A2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140055-A Improved high speed grip performance BRIDGESTONE CORPORATION (JP) 1992-08-18 — — US disclosed
EP-0251760-A2 Rubber composition Bridgestone Corporation (JP) 1988-01-07 — — EP disclosed
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