SCHEMBL8629920

SCHEMBL8629920

O=C(O)CSc1c[c]ncn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
PRNP P04156 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
FFAR1 O14842 1/20 0.37
ALOX15 P16050 1/20 0.36
NOTUM Q6P988 7/20 0.36
APEX1 P27695 1/20 0.36
PHGDH O43175 1/20 0.35
MAP3K8 P41279 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL8628207 0.69 POLB (0.42) KDM4EPRNPRXFP1KMT2AGAA
SCHEMBL11589953 0.68 KMT2A (0.42) KDM4EPRNPRXFP1KMT2AGAA
SCHEMBL9706738 0.63 ALOX15 (0.49) KDM4EKMT2AFFAR1ALOX15NOTUM
SCHEMBL29987569 0.63 ALDH1A1 (0.69) KDM4EKMT2AGAAALOX15ALDH1A1
SCHEMBL437152 0.63 ALDH1A1 (0.69) KDM4EKMT2AGAAALOX15ALDH1A1
SCHEMBL972476 0.62 KDM4E (0.40) KDM4EPRNPRXFP1KMT2AGAA
SCHEMBL21450909 0.61 CXCR2 (0.63) KDM4EPRNPRXFP1KMT2AGAA
SCHEMBL342319 0.61 ALDH1A1 (0.49) KDM4EPRNPRXFP1KMT2AGAA
SCHEMBL5445067 0.61 ALDH1A1 (0.65) KDM4EPRNPRXFP1GAAAPEX1
SCHEMBL1286047 0.60 ALOX15 (0.59) KDM4EKMT2AGAAFFAR1ALOX15

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