SCHEMBL21391132

SCHEMBL21391132

CC(C)(C)CC(=O)CCCc1nc2cc(Cl)cnc2n1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.40
RORC P51449 2/20 0.34
JAK1 P23458 4/20 0.34
CDK4 P11802 3/20 0.33
CCND1 P24385 2/20 0.33
JAK2 O60674 1/20 0.32
HDAC1 Q13547 5/20 0.31
PLA2G1B P04054 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
CCND3 P30281 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
SCHEMBL21390950 0.82 CYP11B2 (0.36) RORCJAK1HDAC1
SCHEMBL21390774 0.80 RORC (0.41) RORCJAK1CDK4CCND1JAK2
SCHEMBL21391120 0.79 TBXA2R (0.35) TBXA2RRORCJAK1JAK2
SCHEMBL21391130 0.77 CYP11B2 (0.38) HDAC1
SCHEMBL16084157 0.77 TBXA2R (0.38) TBXA2RCDK4CCND1HDAC1PLA2G1B
SCHEMBL21390755 0.76 RORC (0.40) RORCCDK4CCND1
SCHEMBL21390880 0.74 HDAC1 (0.37) RORCHDAC1
SCHEMBL21390815 0.74 HDAC1 (0.33) RORCJAK1HDAC1
SCHEMBL21390892 0.74 KDM4E (0.33) JAK1JAK2
SCHEMBL17481359 0.73 TBXA2R (0.34) TBXA2RJAK1CDK4CCND1JAK2

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