SCHEMBL8349665

SCHEMBL8349665

Nc1ccccc1C1=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC1=N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ BRD4 O60885 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ SMARCA2 P51531 1/20 0.31
▸ SMARCA4 P51532 1/20 0.31
▸ PBRM1 Q86U86 1/20 0.31
▸ ATAD2 Q6PL18 1/20 0.31
▸ IDO1 P14902 4/20 0.31
▸ LMNA P02545 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
SCHEMBL28121946 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1KDM4EHPGD
SCHEMBL3118129 0.91 ALDH1A1 (0.46) ALDH1A1HSD17B10L3MBTL1KDM4EHPGD
SCHEMBL9388936 0.88 NPC1 (0.37) ALDH1A1HSD17B10L3MBTL1KDM4EHPGD
SCHEMBL21174848 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10L3MBTL1KDM4EHPGD
SCHEMBL28541499 0.85 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL272832 0.83 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL2517442 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL14562749 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL7996476 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL28807262 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103772399-A Preparation method and use of basic amino acid modified amidotetraphenylporphyrin compound INST BIOMEDICAL ENG CAMS 2014-05-07 — — CN claimed
CN-112552901-B Ratio type zinc ion fluorescent probe and preparation and application thereof 浙江大学城市学院 2022-06-21 — — CN disclosed
CN-112552901-A Ratio type zinc ion fluorescent probe and preparation and application thereof 浙江大学城市学院 2021-03-26 — — CN disclosed
CN-107033153-A Ornithine modifies amino tetraphenylporphyrin compound and purposes 中国医学科学院生物医学工程研究所 2017-08-11 — — CN disclosed
CN-103772399-B Preparation method and use of basic amino acid modified amidotetraphenylporphyrin compound 中国医学科学院生物医学工程研究所 2017-01-25 — — CN disclosed
CN-103772399-A Preparation method and use of basic amino acid modified amidotetraphenylporphyrin compound INST BIOMEDICAL ENG CAMS 2014-05-07 — — CN disclosed
US-5889181-A REDUCING NITRO GROUP TO AMINE; DIAZOTIZATION; SULPHONATION;HYDROLYSIS UNIVERSITY OF SHERBROOKE (CA) 1999-03-30 — — US disclosed
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