SCHEMBL8627694

SCHEMBL8627694

Cn1[c]nnc1-c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.46
KDM4E B2RXH2 7/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 5/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 4/20 0.44
PKM P14618 3/20 0.44
MAPT P10636 3/20 0.44
ALOX15 P16050 3/20 0.44
RECQL P46063 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
PTPN7 P35236 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
SAE1 Q9UBE0 2/20 0.44
UBA2 Q9UBT2 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL8628320 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL8625712 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL1905016 0.71 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL14076990 0.70 RAB9A (0.54) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL8631747 0.69 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL1544366 0.68 RAB9A (0.51) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL4398242 0.66 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MAPTALOX15
SCHEMBL9789735 0.66 HSD17B10 (0.54) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL4036616 0.64 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL8629186 0.64 NPC1 (0.50) ALDH1A1KDM4EHPGDHSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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