SCHEMBL30804591

SCHEMBL30804591

FC(F)(F)c1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
CDC25B P30305 1/20 0.65
ATM Q13315 1/20 0.65
HSD17B10 Q99714 1/20 0.65
RAB9A P51151 3/20 0.57
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
FADS1 O60427 1/20 0.50
GLA P06280 1/20 0.50
RECQL P46063 1/20 0.50
TEAD1 P28347 1/20 0.48

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
SCHEMBL16481037 1.00 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL11959684 0.87 CYP3A4 (0.61) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL29619354 0.85 HSD17B10 (0.87) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL651572 0.85 HSD17B10 (0.87) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL16481325 0.85 ALDH1A1 (0.58) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL1921457 0.83 ALDH1A1 (0.55) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL30012692 0.83 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL4238282 0.83 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL15138715 0.80 ALDH1A1 (0.71) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL3356481 0.80 CYP3A4 (0.66) ALDH1A1TP53CYP3A4HPGDALOX15

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-118108883-A Catalyst system for copolymerization of ethylene and acrylic ester and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed