SCHEMBL21331963

SCHEMBL21331963

O=c1-o-c(=O)-c2cccc3cc4c-1cccc4cc23

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.60
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CES1 P23141 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
MCL1 Q07820 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 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
SCHEMBL10481150 0.81 TYMS (0.50) TYMSALOX15TDP1CES1MAOA
SCHEMBL17256675 0.80 TYMS (0.53) TYMSALDH1A1MCL1MAOAMAOB
SCHEMBL9041820 0.76 ALDH1A1 (0.63) TYMSALOX15TDP1CES1ALDH1A1
1,8-Naphthalic Anhydride SCHEMBL29351054 0.75 TYMS (1.00) TYMSALOX15TDP1CES1ALDH1A1
1,8-Naphthalic Anhydride SCHEMBL30415 0.75 TYMS (1.00) TYMSALOX15TDP1CES1ALDH1A1
SCHEMBL15024618 0.74 CES1 (0.45) TYMSALOX15TDP1CES1ALDH1A1
SCHEMBL22580736 0.74 TYMS (0.47) TYMSALOX15TDP1CES1ALDH1A1
Phthalic Anhydride SCHEMBL9246703 0.74 TDP1 (0.82) TYMSALOX15TDP1CES1ALDH1A1
1,8-Naphthalic Anhydride SCHEMBL11692800 0.73 TYMS (0.95) TYMSALOX15TDP1CES1ALDH1A1
1,8-Naphthalic Anhydride SCHEMBL6929962 0.73 TYMS (0.95) TYMSALOX15TDP1CES1ALDH1A1

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
EP-3512905-B1 METHOD FOR PRODUCING A POLYBENZAZOL POLYMER (P) BASF SE (DE) 2022-08-24 EP disclosed
CN-109790292-B Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2022-05-31 CN disclosed
EP-3762447-A1 METHOD FOR PRODUCING FIBRES, FILMS AND MOULDED BODIES OF A POLYBENZAZOLE POLYMER (P) BASF SE (DE) 2021-01-13 EP disclosed
US-20200407508-A1 METHOD FOR PRODUCING FIBERS, FILMS AND MOLDINGS OF A POLYBENZAZOLE POLYMER (P) BASF SE (DE) 2020-12-31 US disclosed
CN-111836849-A Process for producing fibers, films and moldings of polybenzazole polymer (P) 巴斯夫欧洲公司 2020-10-27 CN disclosed
WO-2019170529-A1 METHOD FOR PRODUCING FIBRES, FILMS AND MOULDED BODIES OF A POLYBENZAZOLE POLYMER (P) BASF SE (DE) 2019-09-12 WO disclosed
CN-109790292-A Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2019-05-21 CN disclosed