SCHEMBL31040435

SCHEMBL31040435

Cc1cccc(N)c1C1=NOCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.39
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
DPP4 P27487 1/20 0.35
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
NSD2 O96028 1/20 0.34
CASP6 P55212 1/20 0.34
ACHE P22303 2/20 0.33
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL700713 1.00 CD44 (0.39) CD44CYP3A4TDP1DPP4TSHR
SCHEMBL28557855 0.81 TSHR (0.36) TSHRACHEKDM4E
SCHEMBL28429620 0.81 ALDH1A1 (0.36) ACHE
SCHEMBL30480757 0.79 ALOX15 (0.31)
SCHEMBL27484510 0.78
SCHEMBL29462230 0.76 L3MBTL1 (0.33) TDP1
SCHEMBL14845202 0.76 L3MBTL1 (0.33) TDP1
SCHEMBL30315779 0.75 TSHR (0.46) TDP1TSHRACHE
SCHEMBL6382453 0.73
SCHEMBL700746 0.73 ALDH1A1 (0.44) CYP3A4TDP1ACHEKDM4E

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
CN-118341444-A Preparation method of cyclic Pt catalyst and application of cyclic Pt catalyst in synthesis of topramezone key intermediate 厦门嘉氢科技有限公司 2024-07-16 CN claimed
CN-118341444-A Preparation method of cyclic Pt catalyst and application of cyclic Pt catalyst in synthesis of topramezone key intermediate 厦门嘉氢科技有限公司 2024-07-16 CN disclosed