SCHEMBL21628962

SCHEMBL21628962

CCOc1ccc(N(c2cc[c]cc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
NQO1 P15559 1/20 0.48
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL21628982 0.93 NQO1 (0.56) LTA4HNQO1RELASMN1; SMN2NPC1
SCHEMBL6306948 0.89 LTA4H (0.63) LTA4HNQO1RELASMN1; SMN2NPC1
SCHEMBL8944052 0.89 LTA4H (0.63) LTA4HNQO1RELASMN1; SMN2NPC1
SCHEMBL10884813 0.84 LTA4H (0.57) LTA4HNQO1RELASMN1; SMN2NPC1
SCHEMBL21628958 0.83 LTA4H (0.55) LTA4HSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL6152700 0.82 CA4 (0.46) LTA4HALDH1A1KDM4EHPGDTDP1
SCHEMBL9776389 0.82 NQO1 (0.52) LTA4HNQO1RELASMN1; SMN2ALDH1A1
SCHEMBL8943653 0.82 LTA4H (0.55) LTA4HNQO1RELAALDH1A1TSHR
SCHEMBL12012640 0.82 LTA4H (0.55) LTA4HNQO1RELAALDH1A1TSHR
SCHEMBL3239122 0.81 NQO1 (0.74) LTA4HNQO1RELASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
CN-110494501-B Phthalocyanine compound and use thereof 山本化成株式会社 2022-04-19 CN disclosed
US-11015061-B2 Phthalocyanine-based compound and uses of same YAMAMOTO CHEMICALS, INC. (JP) 2021-05-25 US disclosed
CN-112154167-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-12-29 CN disclosed
CN-111315828-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-06-19 CN disclosed
WO-2020071470-A1 PHTHALOCYANINE COMPOUND AND USE THEREOF 山本化成株式会社 2020-04-09 WO disclosed
WO-2020021969-A1 COMPOSITION, CURED PRODUCT, OPTICAL FILTER, AND PRODUCTION METHOD FOR CURED PRODUCT 株式会社ADEKA 2020-01-30 WO disclosed
US-20200032066-A1 PHTHALOCYANINE-BASED COMPOUND AND USES OF SAME YAMAMOTO CHEMICALS, INC. (JP) 2020-01-30 US disclosed