SCHEMBL8628906

SCHEMBL8628906

Cn1[c]nnc1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
APAF1 O14727 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4391055 0.82 KMT2A (0.43) KMT2AALDH1A1LMNATSHRL3MBTL1
SCHEMBL8629217 0.78 ALDH1A1 (0.47) GAAALDH1A1KDM4EHPGDMAPT
SCHEMBL8630057 0.76 BCHE (0.41) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL8629058 0.76 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL8631747 0.73 ALDH1A1 (0.37) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8628934 0.71 HSD17B10 (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8630428 0.69 GAA (0.46) GAAKDM4EHPGDMAPTCYP1A2
SCHEMBL4393666 0.68 RAB9A (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8629186 0.68 NPC1 (0.50) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL1544493 0.67 SMN1; SMN2 (0.49) MEN1KMT2AGAAALDH1A1KDM4E

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