SCHEMBL5748716

SCHEMBL5748716

CCCCCNC(=O)NC1CCN(C(=O)c2ccc(C)nc2)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
EPHX1 P07099 11/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM5B Q9UGL1 2/20 0.42
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM5A P29375 1/20 0.41

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
SCHEMBL5745597 0.89 KDM5B (0.53) ALDH1A1KDM5BCCNKCDK12KMT2A
SCHEMBL3864624 0.89 KDM5B (0.53) ALDH1A1KDM5BCCNKCDK12KMT2A
SCHEMBL3865252 0.87 GSK3B (0.47) ALDH1A1KDM5BCCNKCDK12KDM5A
SCHEMBL5748442 0.87 GSK3B (0.47) ALDH1A1KDM5BCCNKCDK12KDM5A
SCHEMBL3856209 0.86 LMNA (0.42) ALDH1A1KDM5BCCNKCDK12KMT2A
SCHEMBL5750443 0.86 LMNA (0.42) ALDH1A1KDM5BCCNKCDK12KMT2A
SCHEMBL5747668 0.86 ALDH1A1 (0.46) ALDH1A1KDM5BCCNKCDK12KMT2A
SCHEMBL3862802 0.86 ALDH1A1 (0.46) ALDH1A1KDM5BCCNKCDK12KMT2A
SCHEMBL3858635 0.85 EPHX1 (0.51) EPHX1ALDH1A1
SCHEMBL3862788 0.85 KMT2A (0.46) EPHX2EPHX1ALDH1A1KDM5BCCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP claimed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO claimed