SCHEMBL8626448

SCHEMBL8626448

C=CCn1[c]nnc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ADORA2B P29275 2/20 0.37
ALPL P05186 1/20 0.37
ALPG P10696 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 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
SCHEMBL8629241 0.78 CA2 (0.40)
SCHEMBL794659 0.77 TSHR (0.43) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL5139103 0.68 RAB9A (0.62) L3MBTL1ALDH1A1HPGDHSD17B10HTT
SCHEMBL4391055 0.67 KMT2A (0.43) L3MBTL1ALDH1A1ADORA2BNPSR1KMT2A
SCHEMBL13401049 0.67 L3MBTL1 (0.55) L3MBTL1ALDH1A1HPGDHSD17B10ADORA2B
SCHEMBL9444559 0.64 ESR1 (0.54) L3MBTL1ALDH1A1HPGDHSD17B10ADORA2B
SCHEMBL6046329 0.63 ALDH1A1 (0.42) L3MBTL1ALDH1A1HPGDHSD17B10ADORA2B
SCHEMBL23552408 0.62 KDM4E (0.81) L3MBTL1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8058921 0.62 ALDH1A1 (0.44) L3MBTL1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8629508 0.62 KMT2A (0.38) L3MBTL1ALDH1A1HPGDHSD17B10KDM4E

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 8 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
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed