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SCHEMBL21390902

SCHEMBL21390902

CC(O)(CC(=O)CCCCc1nc2cc(C#N)c(C(F)(F)F)nc2n1C1CCC1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.31
▸ RORC P51449 2/20 0.30
▸ TNKS O95271 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL21390908 0.90 KDM4E (0.30) KDM4EALDH1A1HPGDHIF1A
SCHEMBL21390764 0.84 CYP11B1 (0.35) KDM4EALDH1A1HPGDHIF1A
SCHEMBL21391134 0.83 RORC (0.33) ALDH1A1RORCTNKSPARP1PARP2
SCHEMBL21390669 0.83 CYP11B2 (0.39) KDM4EALDH1A1HPGDHIF1AKDM2B
SCHEMBL21390770 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21390668 0.81 HDAC1 (0.35) KDM4EALDH1A1HPGDHIF1AKDM2B
SCHEMBL20623896 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDHIF1A
SCHEMBL19277840 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDHIF1A
SCHEMBL21390755 0.81 RORC (0.40) RORCTNKSPARP1PARP2
SCHEMBL21390956 0.81 RORC (0.33) ALDH1A1RORC

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 — — WO disclosed