SCHEMBL8628875

SCHEMBL8628875

[c]1nnc(Nc2cccnc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
CLK1 P49759 1/20 0.47
KDR P35968 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
RAD52 P43351 1/20 0.41
CDK5 Q00535 3/20 0.40

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
SCHEMBL8625316 0.80 HSD17B10 (0.42) MAPTALDH1A1MAPK1KDRNPC1
SCHEMBL29793056 0.73 KIF11 (0.60) MAPTALDH1A1MAPK1CLK1KDR
SCHEMBL1368828 0.73 KIF11 (0.60) MAPTALDH1A1MAPK1CLK1KDR
SCHEMBL6121065 0.71 MAPT (0.48) MAPTALDH1A1MAPK1CLK1KDR
SCHEMBL3950825 0.70 NPC1 (0.51) MAPTKDRNPC1RAB9AKMT2A
SCHEMBL29618407 0.70 NPC1 (0.51) MAPTKDRNPC1RAB9AKMT2A
SCHEMBL27923797 0.69 MAPT (0.53) MAPTALDH1A1MAPK1CLK1KDR
Hydrochloric Acid SCHEMBL6832824 0.68 MAPT (0.51) MAPTALDH1A1MAPK1CLK1KDR
SCHEMBL29364287 0.68 NPC1 (0.83) MAPTALDH1A1MAPK1CLK1KDR
SCHEMBL28577343 0.68 NPC1 (0.83) MAPTALDH1A1MAPK1CLK1KDR

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