SCHEMBL28294816

SCHEMBL28294816

CCCCN1C=CN(C)C1C.CCOS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
EPHX2 P34913 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL28814822 0.88
Sulfuric Acid SCHEMBL4247477 0.88 GBA1 (0.32) TSHR
SCHEMBL27683130 0.87 RECQL (0.44) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28224772 0.86
SCHEMBL28271612 0.86 GBA1 (0.31) TSHR
Sulfuric Acid SCHEMBL27988212 0.86 GBA1 (0.31) TSHR
Octane SCHEMBL28171886 0.84 RECQL (0.33) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28294811 0.84 CA1 (0.32)
SCHEMBL28472923 0.82 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
Trifluoromethanesulfonic Acid SCHEMBL2761024 0.81 EPHX1 (0.33)

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-109790292-A Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2019-05-21 CN disclosed