SCHEMBL6795892

SCHEMBL6795892

COc1ccc(CN2CC3CN(C(=O)CN)CC3C2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 3/20 0.51
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 5/20 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
SCHEMBL6795886 0.86 KMT2A (0.52) ALDH1A1KDM4ETDP1GAAKMT2A
SCHEMBL2895893 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1GAAKMT2A
SCHEMBL6357988 0.76 KDM4E (0.53) ALDH1A1KDM4ETDP1GAAKMT2A
SCHEMBL6363842 0.76 GRIN2B (0.45) ALDH1A1GAAKMT2AMEN1
SCHEMBL6356897 0.73 HDAC1 (0.47) ALDH1A1KDM4ETDP1KMT2ASMN1; SMN2
SCHEMBL18205140 0.72 KDM4E (0.52) ALDH1A1KDM4ETDP1GAAKMT2A
SCHEMBL9804694 0.72 KDM4E (0.61) ALDH1A1KDM4ETDP1GAAKMT2A
SCHEMBL25325121 0.71 KMT2A (0.50) ALDH1A1KDM4ETDP1GAAKMT2A
SCHEMBL27339263 0.71 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1KMT2ASMN1; SMN2
SCHEMBL2891323 0.71 KDM4E (0.49) ALDH1A1KDM4ETDP1GAAKMT2A

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
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed