SCHEMBL4693219

SCHEMBL4693219

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C3CCN(C(N)=O)CC3)C2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 7/20 0.53
EPHX2 P34913 5/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.46
KDM5B Q9UGL1 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.45
ACKR3 P25106 1/20 0.45
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL5748313 0.88 ALDH1A1 (0.50) KDM5AKMT2AALDH1A1MEN1LMNA
SCHEMBL5747586 0.88 ALDH1A1 (0.50) KDM5AKMT2AALDH1A1MEN1LMNA
SCHEMBL3857196 0.86 ALDH1A1 (0.50) KDM5AKMT2AALDH1A1MEN1LMNA
SCHEMBL5909080 0.85 VNN1 (0.53) KDM5AKMT2AALDH1A1MEN1LMNA
SCHEMBL5909117 0.85 ALDH1A1 (0.52) KDM5AKMT2AALDH1A1MEN1LMNA
SCHEMBL5909284 0.85 VNN1 (0.53) KDM5AKMT2AALDH1A1MEN1LMNA
SCHEMBL5908999 0.81 ALDH1A1 (0.61) KMT2AALDH1A1MEN1LMNA
SCHEMBL5746443 0.81 ALDH1A1 (0.51) KDM5AEPHX2KMT2AALDH1A1MEN1
SCHEMBL3862880 0.81 ALDH1A1 (0.53) KMT2AALDH1A1MEN1KDM5BLMNA
SCHEMBL5746938 0.81 ALDH1A1 (0.53) KMT2AALDH1A1MEN1KDM5BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP claimed