SCHEMBL6518868

SCHEMBL6518868

C[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
MAPT P10636 6/20 0.49
GAA P10253 5/20 0.49
CACNA2D1 P54289 5/20 0.49
KMT2A Q03164 4/20 0.49
GLA P06280 3/20 0.49
POLB P06746 3/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 2/20 0.49
KDM1A O60341 2/20 0.49
MITF O75030 1/20 0.49
RAD52 P43351 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL3359450 1.00 KDM4E (0.49) KDM4EMAPTGAACACNA2D1KMT2A
SCHEMBL6518865 1.00 KDM4E (0.49) KDM4EMAPTGAACACNA2D1KMT2A
SCHEMBL1818692 0.83 ALDH1A1 (0.47) KDM4EMAPTKMT2AGLAMEN1
SCHEMBL1818689 0.83 ALDH1A1 (0.47) KDM4EMAPTKMT2AGLAMEN1
SCHEMBL18841463 0.80 CACNA2D1 (0.59) KDM4EMAPTCACNA2D1KMT2AMEN1
SCHEMBL14740712 0.79 POLB (0.56) KDM4EMAPTGAACACNA2D1KMT2A
Trifluoroacetic Acid SCHEMBL8273518 0.78 KDM4E (0.48) KDM4EMAPTGAACACNA2D1KMT2A
SCHEMBL23645086 0.76 PRNP (0.55) KDM4EMAPTGAAKMT2APOLB
SCHEMBL17423272 0.76 KDM4E (0.60) KDM4EMAPTGAACACNA2D1KMT2A
SCHEMBL173509 0.76 TSHR (0.42) POLBLMNAALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1508345-A1 Absorbents and devices for the reduction of small organic compounds from blood products Cerus Corporation (US) 2005-02-23 EP claimed