SCHEMBL7962334

SCHEMBL7962334

CNC(=O)c1ccc(-c2ccc(C(=O)NC)cn2)nc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.74
P4HTM Q9NXG6 4/20 0.57
P4HA1 P13674 1/20 0.57
MAPT P10636 1/20 0.56
GRM5 P41594 1/20 0.53
HDAC6 Q9UBN7 2/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC1 Q13547 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PSMD14 O00487 1/20 0.47
STAMBP O95630 1/20 0.47
COPS5 Q92905 1/20 0.47
PLK1 P53350 5/20 0.47
HPGDS O60760 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL1542986 0.86 BAZ2B (1.00) BAZ2BP4HTMP4HA1MAPTGRM5
SCHEMBL15507078 0.84 BAZ2B (0.79) BAZ2BP4HTMP4HA1MAPTGRM5
SCHEMBL24976756 0.83 BAZ2B (0.72) BAZ2BP4HTMMAPTSMN1; SMN2HPGDS
SCHEMBL24358015 0.83 BAZ2B (0.55) BAZ2BP4HTMP4HA1MAPTGRM5
SCHEMBL13184552 0.82 BAZ2B (0.57) BAZ2BP4HTMP4HA1GRM5HDAC6
SCHEMBL3952478 0.82 HDAC6 (0.72) BAZ2BGRM5HDAC6HDAC2HDAC8
SCHEMBL13451410 0.82 BAZ2B (0.57) BAZ2BGRM5HDAC6HDAC2HDAC8
SCHEMBL20057794 0.81 BAZ2B (0.68) BAZ2BMAPTGRM5SMN1; SMN2HPGDS
SCHEMBL103123 0.80 RAB9A (0.61) BAZ2BMAPTSMN1; SMN2
SCHEMBL259496 0.80 HDAC6 (0.70) BAZ2BGRM5HDAC6HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed