SCHEMBL4036616

SCHEMBL4036616

Cn1[c]nnc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 4/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
POLB P06746 2/20 0.41
TSHR P16473 4/20 0.41
MIF P14174 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
RCE1 Q9Y256 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8628855 0.79 KDM4E (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL8629568 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1906111 0.71 KDM4E (0.45) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL12596380 0.70 KDM4E (0.65) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL9788354 0.70 KMT2A (0.55) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1907032 0.69 KDM4E (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL9825706 0.69 KDM4E (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1234818 0.68 KDM4E (0.61) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL2710660 0.68 NPC1 (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL3071949 0.67 KDM4E (0.53) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP claimed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
WO-1993015047-A1 AMINO ACID DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-08-05 WO 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
EP-0002774-B1 PROCESS FOR ACYLATING 7AMINOCEPHEM DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-23 EP disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
EP-0002774-A1 Process for acylating 7aminocephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 EP disclosed