SCHEMBL21390840

SCHEMBL21390840

CC(C)(O)c1ccc2nc(CCCCC(=O)CC3(C(F)(F)F)CC3)n(C3CCC3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.35
CYP11B2 P19099 5/20 0.35
CYP11B1 P15538 4/20 0.35
CYP19A1 P11511 2/20 0.35
ADRB1 P08588 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RORC P51449 1/20 0.34
ACSS2 Q9NR19 1/20 0.33
USP2 O75604 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDH1 O75874 3/20 0.32
EGFR P00533 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
SCHEMBL21390841 0.97 HDAC1 (0.35) HDAC1CYP11B2CYP11B1CYP19A1ADRB1
SCHEMBL21390846 0.86 CYP19A1 (0.32) HDAC1CYP11B2CYP11B1CYP19A1
SCHEMBL21390845 0.84 HDAC1 (0.40) HDAC1CYP11B2CYP11B1CYP19A1ADRB1
SCHEMBL21390782 0.84 RORC (0.30) RORC
SCHEMBL21391109 0.84
SCHEMBL21390842 0.84 HDAC1 (0.36) HDAC1CYP11B2CYP11B1CYP19A1ADRB1
SCHEMBL21390847 0.83 CYP19A1 (0.32) HDAC1CYP11B2CYP11B1CYP19A1
SCHEMBL21391106 0.82 HDAC1 (0.37) HDAC1CYP11B2CYP11B1CYP19A1ADRB1
SCHEMBL21391026 0.80 HDAC1 (0.37) HDAC1CYP11B2CYP11B1CYP19A1ADRB1
SCHEMBL18791477 0.79 EGFR (0.43) CYP11B2CYP11B1CYP19A1ADRB1ADRA2A

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