SCHEMBL4749206

SCHEMBL4749206

COCCN1C[C@H](C(=O)c2cncc(OC)c2)C(c2cccc(F)c2C)[C@H](C(=O)c2cncc(OC)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 9/20 0.42
MC4R P32245 1/20 0.39
GSK3B P49841 1/20 0.36
ACKR3 P25106 3/20 0.35
NTRK1 P04629 1/20 0.35
KLK7 P49862 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4749527 0.88 MC4R (0.38) KDM2BMC4RGSK3BNTRK1RXFP1
SCHEMBL4021139 0.87 KDM2B (0.43) KDM2BMC4RKMT2AKDM4EMEN1
SCHEMBL4026436 0.86 KDM2B (0.42) KDM2BMC4RRXFP1ALDH1A1KMT2A
SCHEMBL4020026 0.85 KDM2B (0.42) KDM2BMC4RALDH1A1KMT2AKDM4E
SCHEMBL4026512 0.84 NPC1 (0.41) KDM2BMC4RNTRK1KMT2AMEN1
SCHEMBL4780053 0.84 MC4R (0.44) MC4RNTRK1ALDH1A1KMT2AGAA
SCHEMBL4749342 0.83 KDM2B (0.40) KDM2BMC4RALDH1A1KMT2ALMNA
SCHEMBL4024597 0.82 KDM2B (0.45) KDM2BALDH1A1KMT2AMEN1LMNA
SCHEMBL4021398 0.82 KDM2B (0.45) KDM2BALDH1A1KMT2AMEN1LMNA
SCHEMBL4751807 0.81 MC4R (0.42) MC4RNTRK1ALDH1A1KMT2AGAA

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