SCHEMBL8536693

SCHEMBL8536693

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
LPAR1 Q92633 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
PLG P00747 1/20 0.47
KLK1 P06870 1/20 0.47
KLK6 Q92876 1/20 0.47

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
SCHEMBL12048116 0.83 KMT2A (0.58) SMN1; SMN2LPAR1CA12CA1CA2
SCHEMBL9435674 0.83 KMT2A (0.63) SMN1; SMN2LPAR1KMT2AMEN1LMNA
SCHEMBL462304 0.82 LPAR1 (0.66) SMN1; SMN2LPAR1KMT2AMEN1TDP1
SCHEMBL9559085 0.81 P2RY1 (0.58) CA12CA1CA2CA9
SCHEMBL5642336 0.79 MDM2 (0.59) SMN1; SMN2LPAR1KMT2AMEN1LMNA
SCHEMBL545945 0.77 SMN1; SMN2 (0.65) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL9723517 0.76 KMT2A (0.61) SMN1; SMN2LPAR1KMT2AMEN1TDP1
SCHEMBL9463141 0.74 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1TDP1LMNA
SCHEMBL17976392 0.74 ABAT (0.61) CA12CA1CA2CA9KMT2A
SCHEMBL8919908 0.74 ALDH1A1 (0.58) KMT2APLGKLK1KLK6

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-5801178-A ACAT INHIBITOR, ARTERIOSCLEROSIS NIPPON SHOJI KAISH LTD. (JP) 1998-09-01 US disclosed
EP-0726247-B1 Aniline derivatives having a polyunsaturated fatty acid residue and use thereof NIPPON SHOJI KAISHA LTD (JP) 1998-07-08 EP disclosed
EP-0726247-A1 Aniline derivatives having a polyunsaturated fatty acid residue and use thereof NIPPON SHOJI KAISHA, LIMITED (JP) 1996-08-14 EP disclosed