SCHEMBL5746443

SCHEMBL5746443

Cc1ccc(C(=O)N2CCC(NC(=O)NC3CCC3)C2)cn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
VNN1 O95497 1/20 0.50
EPHX1 P07099 1/20 0.49
KMT2A Q03164 4/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
KDM5B Q9UGL1 3/20 0.48
GRM5 P41594 2/20 0.47
EPHX2 P34913 2/20 0.47
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
PDE2A O00408 1/20 0.47
KDM5A P29375 2/20 0.45
KDM5C P41229 1/20 0.45

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
SCHEMBL3867365 1.00 ALDH1A1 (0.51) ALDH1A1VNN1EPHX1KMT2ALMNA
SCHEMBL3861456 0.97 ALDH1A1 (0.53) ALDH1A1VNN1EPHX1KMT2ALMNA
SCHEMBL3856964 0.97 ALDH1A1 (0.53) ALDH1A1VNN1EPHX1KMT2ALMNA
SCHEMBL5746899 0.97 ALDH1A1 (0.53) ALDH1A1VNN1EPHX1KMT2ALMNA
SCHEMBL5748631 0.97 ALDH1A1 (0.53) ALDH1A1VNN1EPHX1KMT2ALMNA
SCHEMBL3863204 0.91 EPHX1 (0.47) ALDH1A1VNN1EPHX1KMT2ALMNA
SCHEMBL5909284 0.88 VNN1 (0.53) ALDH1A1VNN1KMT2ALMNAMEN1
SCHEMBL5909080 0.88 VNN1 (0.53) ALDH1A1VNN1KMT2ALMNAMEN1
SCHEMBL5909117 0.88 ALDH1A1 (0.52) ALDH1A1VNN1KMT2ALMNAMEN1
SCHEMBL5745597 0.86 KDM5B (0.53) ALDH1A1VNN1KMT2ALMNAMEN1

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