SCHEMBL8961228

SCHEMBL8961228

N#CNC(=O)c1cc[c]c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
S1PR3 Q99500 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
SCHEMBL426458 0.77 HDAC6 (0.46) HDAC1HDAC6
SCHEMBL8961322 0.76 ALDH1A1 (0.33) HDAC1HDAC6MEN1KMT2A
SCHEMBL20524424 0.72 HDAC1 (0.62) HDAC1HDAC6MEN1KMT2A
SCHEMBL142939 0.72 TSHR (0.40)
SCHEMBL10932731 0.72 HDAC6 (0.47) HDAC1HDAC6MEN1KMT2A
SCHEMBL9901945 0.72 NPC1 (0.47) MEN1KMT2A
SCHEMBL11038788 0.71 ALDH1A1 (0.41) HDAC1HDAC6MEN1KMT2A
SCHEMBL3391247 0.71 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL17099951 0.71 MEN1 (0.50) MEN1KMT2A
SCHEMBL425996 0.71 PARP1 (0.48) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694053-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP disclosed
WO-1994024214-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-27 WO disclosed