SCHEMBL8630772

SCHEMBL8630772

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA3 P07451 4/20 0.48
CA4 P22748 4/20 0.48
CA6 P23280 4/20 0.48
CA5A P35218 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA13 Q8N1Q1 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CA5B Q9Y2D0 4/20 0.48
ALDH1A1 P00352 1/20 0.48
BCHE P06276 1/20 0.41
CYP1A1 P04798 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36

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
SCHEMBL8626191 0.86 POLB (0.34) POLBCA12CA1CA2CA3
SCHEMBL8626703 0.75 MCL1 (0.39) POLBCA12CA1CA2CA9
SCHEMBL11148031 0.69 POLB (0.66) POLBALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL10639077 0.69 POLB (0.60) POLBCA12CA1CA2CA3
SCHEMBL13010634 0.69 ALDH1A1 (0.69) POLBCA12CA1CA2CA3
SCHEMBL8626453 0.69 POLB (0.60) POLBCA12CA1CA2CA3
SCHEMBL11333136 0.66 POLB (0.56) POLBCA12CA1CA2CA3
SCHEMBL11333145 0.66 ALDH1A1 (0.67) POLBCA12CA1CA2CA3
SCHEMBL19370500 0.66 CA1 (0.58) POLBCA12CA1CA2CA3
SCHEMBL6252743 0.66 MEN1 (0.61) POLBALDH1A1L3MBTL1TSHR

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 9 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-4265892-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1981-05-05 US disclosed
US-4154831-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed
US-4041161-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed