SCHEMBL8837847

SCHEMBL8837847

CN(C)C=CC(=O)c1cn(CCCN2C(=O)c3ccccc3C2=O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.43
CNR1 P21554 10/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CREBBP Q92793 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8837829 0.90 CNR2 (0.39) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL8837853 0.82 SMN1; SMN2 (0.60) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL9236163 0.78 CNR2 (0.45) CNR2CNR1SMN1; SMN2CREBBP
SCHEMBL28774046 0.77 CNR2 (0.47) CNR2CNR1CREBBPKMT2A
SCHEMBL9238742 0.77 SMN1; SMN2 (0.55) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL2538347 0.75 ABCG2 (0.57) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2538344 0.75 ABCG2 (0.57) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8837827 0.74 CREBBP (0.63) CNR2SMN1; SMN2ALDH1A1CREBBPKMT2A
SCHEMBL7007076 0.73 CNR2 (0.41) CNR2CNR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17943528 0.72 CNR2 (0.48) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP

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-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed