SCHEMBL5746384

SCHEMBL5746384

Cc1ccc(C(=O)N2CCC(NC(=O)NCC(F)(F)F)C2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 1/20 0.44
CCNK O75909 3/20 0.43
CDK12 Q9NYV4 3/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
SCN9A Q15858 1/20 0.42
VNN1 O95497 3/20 0.42
KDM5B Q9UGL1 2/20 0.41
PDE2A O00408 1/20 0.41
GRM5 P41594 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
SCHEMBL3863247 1.00 KMT2A (0.45) KMT2AALDH1A1EPHX2CCNKCDK12
SCHEMBL3867897 0.91 ALDH1A1 (0.45) KMT2AALDH1A1CCNKCDK12LMNA
SCHEMBL5748010 0.91 ALDH1A1 (0.45) KMT2AALDH1A1CCNKCDK12LMNA
SCHEMBL5745597 0.87 KDM5B (0.53) KMT2AALDH1A1CCNKCDK12LMNA
SCHEMBL3864624 0.87 KDM5B (0.53) KMT2AALDH1A1CCNKCDK12LMNA
SCHEMBL5746703 0.85 KMT2A (0.46) KMT2AALDH1A1EPHX2CCNKCDK12
SCHEMBL3862788 0.85 KMT2A (0.46) KMT2AALDH1A1EPHX2CCNKCDK12
SCHEMBL3862802 0.85 ALDH1A1 (0.46) KMT2AALDH1A1CCNKCDK12LMNA
SCHEMBL5747668 0.85 ALDH1A1 (0.46) KMT2AALDH1A1CCNKCDK12LMNA
SCHEMBL3865276 0.84 ALDH1A1 (0.47) KMT2AALDH1A1CCNKCDK12LMNA

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 disclosed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO disclosed