SCHEMBL8630672

SCHEMBL8630672

CCOC(=O)c1nn[c][nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
PDE4D Q08499 1/20 0.41
CYP1A2 P05177 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35

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
SCHEMBL8625346 0.71 HSD17B10 (0.47) ALDH1A1GAAPOLBLMNACA12
SCHEMBL8629452 0.70 CA12 (0.39) KDM4EALDH1A1HPGDPDE4DMEN1
SCHEMBL17963189 0.69 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL9920410 0.68 KDM4E (0.49) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL1563950 0.68 PDE4D (0.46) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL2423813 0.67 CYP1A2 (0.46) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL17747831 0.67 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL22272842 0.67 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL7081515 0.67 KDM4E (0.46) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL13743161 0.67 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHTTRECQL

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
US-4317907-A ANHYDROUS CONDITIONS IN THE PRESENCE OF BOREN TRIFLUORIDE OR ONE OF ITS COMPLEXES TOYAMA CHEMICAL CO., LTD. (JP) 1982-03-02 US claimed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed