SCHEMBL4371545

SCHEMBL4371545

COc1c(N2CC[C@@H](CN(CCN(C)C)C3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc2c(=O)c(C(=O)O)c(F)n(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 4/20 0.32
USP30 Q70CQ3 2/20 0.32
SGMS1 Q86VZ5 2/20 0.32
SGMS2 Q8NHU3 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
LIMK2 P53671 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
CSF1R P07333 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
SCHEMBL4370115 0.77 KCNH2 (0.41) KCNH2CYP3A4KDM4E
SCHEMBL1155038 0.76 KCNH2 (0.64) KCNH2MEN1KMT2AKDM4E
SCHEMBL4370489 0.70 KDM4E (0.36) KCNH2GPR119KDM4E
SCHEMBL1155088 0.66 JAK2 (0.51) GPR119USP30KDM4EPKMLIMK2
SCHEMBL6527477 0.64 KCNH2 (0.72) KCNH2CYP3A4KDM4E
SCHEMBL1154906 0.63 KCNH2 (0.68) KCNH2MEN1KMT2AKDM4E
SCHEMBL1154988 0.61 GPR119 (0.40) GPR119KDM4EPKM
SCHEMBL26101487 0.60 GPR119 (0.50) GPR119JAK2JAK1
SCHEMBL26101492 0.60 GPR119 (0.50) GPR119JAK2JAK1
SCHEMBL1088765 0.60 KDM4E (0.42) MEN1KMT2AGPR119KDM4EPKM

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-2009064792-A1 QUINOLONE CARBOXYLIC ACID-SUBSTITUTED RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2009-05-22 WO disclosed