SCHEMBL28600418

SCHEMBL28600418

Cc1c(N)ccc2cccc(N)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.56
TSHR P16473 6/20 0.56
PIK3CA P42336 1/20 0.56
ALDH1A1 P00352 7/20 0.46
HPGD P15428 7/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
JAK2 O60674 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MELK Q14680 1/20 0.42
STK24 Q9Y6E0 1/20 0.42
TDP1 Q9NUW8 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TYMS P04818 1/20 0.40
KEAP1 Q14145 1/20 0.39
CD44 P16070 1/20 0.39
RAD52 P43351 1/20 0.39
THRB P10828 1/20 0.36

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
SCHEMBL2799285 0.84 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL14742902 0.80 ALDH1A1 (0.59) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL6543972 0.77 CD44 (0.50) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL29349435 0.77 JAK2 (0.54) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL65699 0.77 JAK2 (0.54) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL31484742 0.76 CD44 (0.54) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL7752251 0.76 ALDH1A1 (0.48) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL4083590 0.76 CD44 (0.54) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL6185564 0.76 CD44 (0.54) CYP3A4TSHRPIK3CAALDH1A1HPGD
Hydrochloric Acid SCHEMBL11277860 0.75 JAK2 (0.52) CYP3A4TSHRPIK3CAALDH1A1HPGD

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-107849257-B Method for producing polymer dispersions and polymer dispersions produced thereby 沙特基础工业全球技术有限公司 2021-06-08 CN disclosed