SCHEMBL5748631

SCHEMBL5748631

Cc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)C2)cn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
EPHX2 P34913 8/20 0.52
KMT2A Q03164 3/20 0.52
KDM5B Q9UGL1 2/20 0.52
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.50
VNN1 O95497 1/20 0.49
GRM5 P41594 1/20 0.49
EPHX1 P07099 2/20 0.48
RAB9A P51151 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
SCHEMBL3861456 1.00 ALDH1A1 (0.53) ALDH1A1EPHX2KMT2AKDM5BMEN1
SCHEMBL3856964 1.00 ALDH1A1 (0.53) ALDH1A1EPHX2KMT2AKDM5BMEN1
SCHEMBL5746899 1.00 ALDH1A1 (0.53) ALDH1A1EPHX2KMT2AKDM5BMEN1
SCHEMBL5746443 0.97 ALDH1A1 (0.51) ALDH1A1EPHX2KMT2AKDM5BMEN1
SCHEMBL3867365 0.97 ALDH1A1 (0.51) ALDH1A1EPHX2KMT2AKDM5BMEN1
SCHEMBL3863204 0.90 EPHX1 (0.47) ALDH1A1EPHX2KMT2AKDM5BMEN1
SCHEMBL3856965 0.87 KMT2A (0.48) ALDH1A1EPHX2KMT2AMEN1LMNA
SCHEMBL5909080 0.87 VNN1 (0.53) ALDH1A1KMT2AMEN1LMNAVNN1
SCHEMBL5909284 0.87 VNN1 (0.53) ALDH1A1KMT2AMEN1LMNAVNN1
SCHEMBL5909117 0.87 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNAVNN1

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