SCHEMBL14430874

SCHEMBL14430874

CCCCCCBC(C)(C)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ FAAH O00519 6/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL14430860 0.93 HDAC3 (0.33) SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL14430856 0.77 L3MBTL1 (0.31) —
SCHEMBL26053254 0.76 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AGRM2EPHX2
SCHEMBL22435799 0.75 CNR2 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL19059646 0.74 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AGRM2EPHX2
SCHEMBL21339358 0.73 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AGRM2EPHX2
SCHEMBL14489030 0.71 KIF11 (0.38) SMN1; SMN2TP53CYP2D6
SCHEMBL30526183 0.70 HSP90AA1 (0.42) SMN1; SMN2EPHX2HDAC1HDAC3HDAC2
SCHEMBL14430864 0.69 ACHE (0.37) HDAC1HDAC3HDAC2HDAC6
SCHEMBL9777283 0.67 KCNN4 (0.36) —

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
EP-1728838-B1 Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same FUJIFILM CORP (JP) 2007-08-15 — — EP disclosed
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