SCHEMBL11246007

SCHEMBL11246007

O=C(c1ccc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Cl)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
ACHE P22303 2/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
PIM1 P11309 2/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
GUSB P08236 1/20 0.32
RORC P51449 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL11247954 0.87 HDAC3 (0.35) HDAC6HDAC3HDAC7HDAC10ACHE
SCHEMBL11259416 0.86 HDAC6 (0.34) HDAC6HDAC4HDAC3HDAC7HDAC10
SCHEMBL11245992 0.86 HDAC3 (0.41) CHEK2HDAC6HDAC3HDAC7HDAC10
SCHEMBL11242243 0.84 ALDH1A1 (0.46)
SCHEMBL11245574 0.80 NT5E (0.41) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11245732 0.80 GUSB (0.45) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11254942 0.79 PTGES (0.33)
SCHEMBL11257669 0.79 CES1 (0.40) CHEK2HDAC6
SCHEMBL11244602 0.79 PIM1 (0.40) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11258703 0.75 PIM1 (0.33) PIM1CSNK2A2CSNK2BPIM3PIM2

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
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed