SCHEMBL8629263

SCHEMBL8629263

COC(=O)CCC(=O)Nc1nn[c]s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA3 P07451 5/20 0.51
CA4 P22748 5/20 0.51
CA6 P23280 5/20 0.51
CA5A P35218 5/20 0.51
CA7 P43166 5/20 0.51
CA9 Q16790 5/20 0.51
CA13 Q8N1Q1 5/20 0.51
CA14 Q9ULX7 5/20 0.51
CA5B Q9Y2D0 5/20 0.51
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8630772 0.82 POLB (0.49) CA12CA1CA2CA3CA4
SCHEMBL8627858 0.78 CA1 (0.38) CA12CA1CA2CA3CA4
SCHEMBL11685658 0.74 MAPT (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL970034 0.72 TSHR (0.40) CA12CA1CA2CA3CA4
SCHEMBL11327057 0.72 CA12 (0.62) CA12CA1CA2CA3CA4
SCHEMBL6248862 0.70 LMNA (0.63) PKMALDH1A1HPGDPOLBL3MBTL1
SCHEMBL8631762 0.69 ALDH1A1 (0.42) CA12CA1CA2CA3CA4
SCHEMBL7392391 0.66 SMN1; SMN2 (0.60) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL11685860 0.65 ALDH1A1 (0.48) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
Dimethyl Succinate SCHEMBL28054469 0.64 TSHR (1.00) CA12CA14ALDH1A1HPGDHTT

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