SCHEMBL8629182

SCHEMBL8629182

O=C(O)c1cn[c]nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
CASP1 P29466 1/20 0.32
DAO P14920 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
HCAR2 Q8TDS4 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
ALOX15 P16050 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
SCHEMBL2442379 0.77 KDM4E (0.32) SMN1; SMN2LMNAALDH1A1TSHRKDM4E
SCHEMBL2439685 0.75 KDM4E (0.43) SMN1; SMN2ALDH1A1TSHRKDM4EKMT2A
SCHEMBL8630801 0.75 KDM4E (0.39) LMNAALDH1A1CASP1KDM4EKMT2A
SCHEMBL28089157 0.71 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKEAP1NFE2L2ALDH1A1
SCHEMBL7249210 0.71 ASPH (0.39) SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL15414913 0.68 DHODH (0.37) SMN1; SMN2LMNAALDH1A1CASP1KDM4E
SCHEMBL15415804 0.68 DHODH (0.40) SMN1; SMN2LMNAALDH1A1TSHRCASP1
SCHEMBL15415816 0.67 DHODH (0.41) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15415487 0.67 DHODH (0.41) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1344662 0.64 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKEAP1NFE2L2ALDH1A1

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