SCHEMBL13994413

SCHEMBL13994413

COc1ccc(F)cc1BCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR3C1 P04150 2/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ SYK P43405 1/20 0.38
▸ P2RX7 Q99572 3/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL13994405 0.79 ALDH1A1 (0.40) SMN1; SMN2KMT2AP2RX7FFAR1FFAR4
SCHEMBL14500180 0.72 KDM4E (0.44) SMN1; SMN2HTR2AKMT2ASYKMEN1
SCHEMBL4228617 0.71 FFAR1 (0.66) SMN1; SMN2CYP3A4KMT2AFFAR1FFAR4
SCHEMBL30002764 0.71 FFAR1 (0.66) SMN1; SMN2CYP3A4KMT2AFFAR1FFAR4
SCHEMBL21667956 0.71 FFAR1 (0.58) SMN1; SMN2CYP3A4KMT2AFFAR1FFAR4
SCHEMBL13994421 0.71 MAPT (0.41) SMN1; SMN2NR3C1CYP2C19MAOBKMT2A
SCHEMBL8228846 0.71 NFE2L2 (0.42) SMN1; SMN2CYP3A4CYP2C19HTR2AKMT2A
SCHEMBL30691665 0.69 HDAC8 (0.59) SMN1; SMN2KCNH2KMT2AMEN1
SCHEMBL13994417 0.68 NFE2L2 (0.40) SMN1; SMN2HTR2ASLC6A4
SCHEMBL13994420 0.68 TAAR1 (0.41) SMN1; SMN2MAOBPKM

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
US-7470015-B2 Inkjet-recording ink composition and image-forming process FUJIFILM CORPORATION (JP) 2008-12-30 — — US disclosed
US-7229737-B2 Photopolymerizable composition and recording material and recording process using the same FUJIFILM CORPORATION (JP) 2007-06-12 — — US disclosed
Send feedback