SCHEMBL28423933

SCHEMBL28423933

c1ccc2c(Nc3cc[nH]n3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
DHFR P00374 2/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 2/20 0.45
EPHX2 P34913 1/20 0.44
CCR4 P51679 6/20 0.43
MAPK1 P28482 1/20 0.43
FADS1 O60427 1/20 0.42
GAA P10253 3/20 0.42
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6777779 0.79 KDM4E (0.57) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL10583833 0.77 HSD17B10 (0.47) ALDH1A1HSD17B10TP53CYP3A4HPGD
SCHEMBL6287523 0.75 GAA (0.46) ALDH1A1HPGDCDC25BKDM4EMAPT
SCHEMBL49213 0.74 HSD17B10 (0.74) ALDH1A1HSD17B10TP53CYP3A4HPGD
SCHEMBL8500339 0.72 HSD17B10 (0.71) ALDH1A1HSD17B10TP53CYP3A4HPGD
SCHEMBL1921580 0.72 HSD17B10 (0.71) ALDH1A1HSD17B10TP53CYP3A4HPGD
Ammonia Solution, Strong SCHEMBL11586421 0.72 HSD17B10 (0.71) ALDH1A1HSD17B10TP53CYP3A4HPGD
SCHEMBL9820213 0.72 MAPT (0.64) ALDH1A1TP53HPGDKDM4EMAPT
SCHEMBL1272593 0.72
SCHEMBL904435 0.71 KMT2A (0.68) ALDH1A1HSD17B10TP53CYP3A4HPGD

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-118354672-A Fungicidal compositions 先正达农作物保护股份公司 2024-07-16 CN disclosed
CN-107616174-B Composition containing ZJ10520 and amide bactericide 浙江省化工研究院有限公司 2020-05-29 CN disclosed