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SCHEMBL4787104

SCHEMBL4787104

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)N2CCN(C)CC2)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.37
▸ MGLL Q99685 6/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL4752082 1.00 HRH4 (0.37) HRH4MGLLMEN1KMT2AERN1
SCHEMBL4022350 0.88 SIGMAR1 (0.37) HRH4MGLLMEN1KMT2AERN1
SCHEMBL4023697 0.88 SIGMAR1 (0.37) HRH4MGLLMEN1KMT2AERN1
SCHEMBL4751559 0.88 MEN1 (0.32) HRH4MGLLMEN1KMT2AKDM1A
SCHEMBL4022061 0.87 KDM1A (0.38) HRH4MGLLMEN1KMT2AERN1
SCHEMBL4022068 0.87 KDM1A (0.38) HRH4MGLLMEN1KMT2AERN1
SCHEMBL4019244 0.87 MGLL (0.41) MGLL
SCHEMBL4752894 0.86 MGLL (0.34) MGLLMEN1KMT2A
SCHEMBL4752896 0.86 MGLL (0.34) MGLLMEN1KMT2A
SCHEMBL4028111 0.86 SIGMAR1 (0.38) HRH4MGLLMEN1KMT2AERN1

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