SCHEMBL8629000

SCHEMBL8629000

CCOc1ccc(-n2[c]nnc2-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 2/20 0.58
CACNA2D1 P54289 8/20 0.53
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KMT2A Q03164 2/20 0.43
LTA4H P09960 1/20 0.42
BACE1 P56817 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL8629448 0.88 ALDH1A1 (0.49) SMN1; SMN2HPGDCACNA2D1ALDH1A1MAPT
SCHEMBL8629178 0.86 TSHR (0.50) SMN1; SMN2HPGDCACNA2D1MAPTTSHR
SCHEMBL8682578 0.86 HIF1A (0.48) SMN1; SMN2HPGDCACNA2D1ALDH1A1MAPT
SCHEMBL8628198 0.77 NOTUM (0.44) SMN1; SMN2HPGDCACNA2D1ALDH1A1MAPT
SCHEMBL27530845 0.72 SMN1; SMN2 (0.79) SMN1; SMN2HPGDCACNA2D1ALDH1A1MAPT
SCHEMBL8631163 0.72 KDM4E (0.40) SMN1; SMN2HPGDALDH1A1MAPTTSHR
SCHEMBL8630428 0.71 GAA (0.46) SMN1; SMN2HPGDMAPTTSHRNPC1
SCHEMBL8628934 0.71 HSD17B10 (0.44) SMN1; SMN2HPGDALDH1A1MAPTHSD17B10
SCHEMBL17626026 0.69 SMN1; SMN2 (0.51) SMN1; SMN2HPGDCACNA2D1ALDH1A1MAPT
SCHEMBL5004879 0.69 CACNA2D1 (1.00) CACNA2D1

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