SCHEMBL7810075

SCHEMBL7810075

CC(C)OC(=O)C(C)(C)Oc1cccc(C2=CCN(C(=O)c3cccnc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.47
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7817469 0.91 NAMPT (0.44) NAMPTALDH1A1TDP1CCNT1CDK9
SCHEMBL7813905 0.89 ALDH1A1 (0.46) NAMPTALDH1A1TDP1HPGDPOLB
SCHEMBL7813392 0.89 NAMPT (0.50) NAMPTALDH1A1TDP1ABL1BCR
SCHEMBL7804444 0.87 NAMPT (0.44) NAMPTALDH1A1TDP1HPGDMAPK1
SCHEMBL7817528 0.85 NAMPT (0.49) NAMPTALDH1A1TDP1HPGDMAPK1
SCHEMBL7814015 0.85 NAMPT (0.44) NAMPTALDH1A1TDP1HPGDMAPK1
SCHEMBL7811486 0.85 PPARG (0.49) NAMPTALDH1A1TDP1HPGDMAPK1
SCHEMBL7809885 0.85 POLB (0.41) NAMPTALDH1A1TDP1HPGDMAPK1
SCHEMBL7804294 0.84 HPGD (0.39) NAMPTALDH1A1TDP1HPGDMAPK1
SCHEMBL7813624 0.84 POLB (0.40) NAMPTALDH1A1TDP1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed