SCHEMBL6795886

SCHEMBL6795886

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 4/20 0.49
PTBP1 P26599 1/20 0.48
OPRM1 P35372 1/20 0.48

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
SCHEMBL6795892 0.86 ALDH1A1 (0.53) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL2895893 0.77 ALDH1A1 (0.55) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL6357988 0.76 KDM4E (0.53) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL6363840 0.76 GRIN2B (0.45) KMT2AALDH1A1GAAMEN1
SCHEMBL2891323 0.73 KDM4E (0.49) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL18205140 0.72 KDM4E (0.52) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL9804694 0.72 KDM4E (0.61) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL5191004 0.72 TSHR (0.63) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL5242472 0.71 BTK (0.51) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL10906073 0.71 ALDH1A1 (0.51) KMT2AALDH1A1POLBTDP1KDM4E

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