SCHEMBL8632037

SCHEMBL8632037

[c]1nnc(N2CCCCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 4/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
TP53 P04637 2/20 0.33
ALOX15 P16050 2/20 0.33
AR P10275 1/20 0.33
HRH3 Q9Y5N1 2/20 0.31
RAB9A P51151 3/20 0.31
LIPA P38571 3/20 0.31
NPC1 O15118 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5949903 0.98 ALDH1A1 (0.41) ALDH1A1HSD17B10GAAMAPK1HPGD
SCHEMBL23000151 0.64 ALDH1A1 (0.42) ALDH1A1HSD17B10GAAMAPK1HPGD
SCHEMBL971921 0.63 USP2 (0.41) ALDH1A1TSHRLMNATP53RAB9A
SCHEMBL10399208 0.63 ALDH1A1 (0.39) ALDH1A1HSD17B10GAAMAPK1HPGD
SCHEMBL21737951 0.62 ALDH1A1 (0.61) ALDH1A1HSD17B10GAAMAPK1SMN1; SMN2
SCHEMBL5631018 0.61 ALDH1A1 (1.00) ALDH1A1HSD17B10GAAMAPK1HPGD
SCHEMBL8026243 0.61 ALDH1A1 (0.44) ALDH1A1HSD17B10GAAMAPK1HPGD
SCHEMBL11372459 0.61 ALDH1A1 (1.00) ALDH1A1HSD17B10GAAMAPK1HPGD
SCHEMBL23975594 0.61 ALDH1A1 (0.59) ALDH1A1HSD17B10GAAMAPK1HPGD
SCHEMBL744777 0.61 ALDH1A1 (0.39) ALDH1A1HSD17B10GAAMAPK1HPGD

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