SCHEMBL8629698

SCHEMBL8629698

Oc1nn[c]n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
CCR6 P51684 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOTUM Q6P988 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FGFR1 P11362 2/20 0.30
SRC P12931 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
SCHEMBL8627713 0.80 NOTUM (0.40) GAAALDH1A1NPC1KDM4EIDO1
SCHEMBL795390 0.75 AVPR1A (0.39) ALDH1A1HTTNPC1KDM4EHPGD
SCHEMBL8633146 0.75 KDM4E (0.35) ALDH1A1NPC1L3MBTL1KDM4EHPGD
SCHEMBL8628934 0.68 HSD17B10 (0.44) ALDH1A1HTTNPC1L3MBTL1KDM4E
SCHEMBL17186577 0.62 KDM4E (0.39) GAAHTTNPC1L3MBTL1KDM4E
SCHEMBL7806028 0.62 KMT2A (0.38) GAAALDH1A1HTTL3MBTL1KDM4E
SCHEMBL54977 0.60 ALDH1A1 (0.53) GAAALDH1A1HTTL3MBTL1HPGD
SCHEMBL8629138 0.58 HPGD (0.35) GAAALDH1A1HTTL3MBTL1KDM4E
SCHEMBL2371733 0.57 CYP2C9 (0.52) GAAALDH1A1HTTNPC1L3MBTL1
SCHEMBL633199 0.57 NOTUM (0.39) GAAALDH1A1HTTNPC1L3MBTL1

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