SCHEMBL6225951

SCHEMBL6225951

CCn1c(=O)cc(-c2cccc(Cl)c2)c2ccc(C)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KMT2A Q03164 2/20 0.42
METAP2 P50579 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MAOB P27338 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL157878 0.86 ADORA1 (0.52) ADORA1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL8694949 0.82 KDM4E (0.47) ADORA1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8693742 0.82 CYP1A2 (0.45) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8193560 0.81 KDM4E (0.77) ADORA1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8696874 0.78 ALDH1A1 (0.54) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6221477 0.78 KDM4E (0.49) ADORA1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6222281 0.77 KDM4E (0.47) ADORA1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL27453761 0.77 KDM4E (0.47) ADORA1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8192913 0.76 ALDH1A1 (0.57) ADORA1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6221158 0.76 ADORA1 (0.49) ADORA1KDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225173-B1 NAPHTHYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2005-09-28 EP disclosed
US-6740662-B1 HAVING 2-OXO-1,2-DIHYDRO- FUNCTIONALITY; PHOSPHODIESTERASE INHIBITORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-25 US disclosed
CN-1148369-C 1,8-naphthyridine derivatives ֮����ҩ��ʽ���� 2004-05-05 CN disclosed
CN-1382141-A 1,8-naphthyridine derivatives YAMANOUCHI PHARMA CO LTD (JP) 2002-11-27 CN disclosed
EP-1225173-A1 NAPHTHYRIDINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-07-24 EP disclosed