SCHEMBL4751398

SCHEMBL4751398

COc1cccc(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H](C(=O)c3cccc(OC)c3)[C@H]2c2cccc(F)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 3/20 0.45
KDM2B Q8NHM5 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
SLC18A3 Q16572 2/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL13721049 1.00 KMT2A (0.47) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL4026560 0.87 RORC (0.43) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4021398 0.87 KDM2B (0.45) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4024597 0.87 KDM2B (0.45) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4751581 0.85 KMT2A (0.46) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL4751579 0.85 KMT2A (0.46) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL4751582 0.85 KMT2A (0.46) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL4018783 0.85 KDM2B (0.43) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL13721307 0.85 KDM2B (0.43) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4027956 0.85 KDM2B (0.43) KMT2AALDH1A1HTTLMNAMEN1

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