SCHEMBL8629138

SCHEMBL8629138

Oc1n[c]n(-c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 3/20 0.34
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
P2RX7 Q99572 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
COMT P21964 1/20 0.31
KMT2A Q03164 2/20 0.30
PARP1 P09874 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
FGFR1 P11362 2/20 0.30
SRC P12931 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL795493 0.75 MAPK1 (0.36) HPGDKDM4EGAAALDH1A1TSHR
SCHEMBL794740 0.71 LMNA (0.39) HPGDKDM4EGAAALDH1A1TSHR
SCHEMBL11592720 0.65 CNR1 (0.43) SMN1; SMN2MAPT
SCHEMBL236974 0.61 KDM4A (0.45) HPGDKDM4EGAAALDH1A1TSHR
SCHEMBL795560 0.61 KDM4E (0.33) HPGDKDM4EGAAALDH1A1TSHR
SCHEMBL633199 0.61 NOTUM (0.39) HPGDKDM4EGAAALDH1A1TSHR
SCHEMBL6269913 0.60 ABCG2 (0.50) HPGDKDM4EALDH1A1TSHRP2RX7
SCHEMBL535336 0.60 KDM4E (0.37) HPGDKDM4EGAAHTTKMT2A
SCHEMBL4857635 0.60 MAPT (0.47) HPGDKDM4EGAAESR2ALDH1A1
SCHEMBL536074 0.58 LMNA (0.38) HPGDKDM4EGAAALDH1A1HTT

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-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
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP 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