SCHEMBL30065511

SCHEMBL30065511

c1ccc(Oc2csc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.42
LTA4H P09960 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL24792264 1.00 CYP2A6 (0.42) CYP2A6LTA4HTSHRMAPTKMT2A
SCHEMBL6594759 0.85 LTA4H (0.47) LTA4HTSHRMAPTKMT2AKDM4E
SCHEMBL10324828 0.85 CYP2A6 (0.38) CYP2A6MAPTKMT2AALDH1A1HDAC3
SCHEMBL6550609 0.82 LMNA (0.47) LTA4HMAPTKMT2ALMNAGAA
SCHEMBL28351542 0.79 MAP3K8 (0.39) LTA4HTSHRGAANPC1RAB9A
SCHEMBL23436927 0.78 MAOB (0.31) CYP2A6GAAMAOB
SCHEMBL28348303 0.76 CNR2 (0.45) CYP2A6MAPTKDM4EALDH1A1HPGD
SCHEMBL6597264 0.75 TUBB4A (0.51) CYP2A6MAPTKMT2AKDM4EALDH1A1
SCHEMBL32681759 0.75 CYP2A6 (0.45) CYP2A6MAPTKMT2AKDM4EALDH1A1
SCHEMBL29968024 0.75 TUBB4A (0.51) CYP2A6MAPTKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490702-B Method for synthesizing BTBF aromatic amine derivative 广东阿格蕾雅光电材料有限公司 2024-06-14 CN claimed
CN-115490703-B BTBF synthesis method 广东阿格蕾雅光电材料有限公司 2024-05-31 CN claimed
WO-2022262310-A1 METHOD FOR SYNTHESIZING BTBF AROMATIC AMINE DERIVATIVES 广东阿格蕾雅光电材料有限公司 2022-12-22 WO claimed
CN-115490703-A Synthetic method of BTBF 广东阿格蕾雅光电材料有限公司 2022-12-20 CN claimed
CN-115490702-A Synthetic method of BTBF arylamine derivative 广东阿格蕾雅光电材料有限公司 2022-12-20 CN claimed
CN-115490702-B Method for synthesizing BTBF aromatic amine derivative 广东阿格蕾雅光电材料有限公司 2024-06-14 CN disclosed
CN-115490703-B BTBF synthesis method 广东阿格蕾雅光电材料有限公司 2024-05-31 CN disclosed
WO-2022262310-A1 METHOD FOR SYNTHESIZING BTBF AROMATIC AMINE DERIVATIVES 广东阿格蕾雅光电材料有限公司 2022-12-22 WO disclosed
CN-115490703-A Synthetic method of BTBF 广东阿格蕾雅光电材料有限公司 2022-12-20 CN disclosed
CN-115490702-A Synthetic method of BTBF arylamine derivative 广东阿格蕾雅光电材料有限公司 2022-12-20 CN disclosed