SCHEMBL4751303

SCHEMBL4751303

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCO)C[C@H]1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ESRRG P62508 2/20 0.33
MGLL Q99685 2/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
NTRK1 P04629 1/20 0.31
MC4R P32245 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4020633 0.96 MEN1 (0.35) KDM2BMEN1KMT2AESRRGMGLL
SCHEMBL4028155 0.91 KMT2A (0.34) KDM2BMEN1KMT2AESRRGMGLL
SCHEMBL4019668 0.90 HRH2 (0.34) KDM2BMEN1KMT2AESRRGMGLL
SCHEMBL4779145 0.90 MC4R (0.40) KDM2BNTRK1MC4RKDM4E
SCHEMBL4779138 0.90 MC4R (0.40) KDM2BNTRK1MC4RKDM4E
SCHEMBL4025770 0.89 KDM2B (0.41) KDM2BMEN1KMT2AMGLLALDH1A1
SCHEMBL4024566 0.88 EED (0.33) KDM2BMEN1KMT2A
SCHEMBL4020144 0.88 DPP4 (0.38) KDM2BMGLLMC4RKDM4EALDH1A1
SCHEMBL4022073 0.88 MEN1 (0.36) KDM2BMEN1KMT2AMGLLMC4R
SCHEMBL4029269 0.88 KDM2B (0.35) KDM2BMEN1KMT2AMGLL

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed