SCHEMBL29952897

SCHEMBL29952897

O=Cc1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.58
F11 P03951 1/20 0.52
F7 P08709 2/20 0.51
F3 P13726 2/20 0.51
DAO P14920 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP19A1 P11511 1/20 0.47
SIRT1 Q96EB6 1/20 0.46
LTA4H P09960 1/20 0.42
AHR P35869 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL286735 1.00 CYP2A6 (0.58) CYP2A6F11F7F3DAO
SCHEMBL286843 0.85 CYP2A6 (0.58) CYP2A6F11DAOALDH1A1MAPT
SCHEMBL8350514 0.82 F7 (0.46) CYP2A6F11F7F3DAO
SCHEMBL8350520 0.82 F7 (0.46) CYP2A6F11F7F3DAO
SCHEMBL11174139 0.81 LOXL2 (0.49) F11F7F3DAOLOXL2
SCHEMBL1335177 0.77 CYP2A6 (0.58) CYP2A6DAOALDH1A1MAPTLMNA
SCHEMBL5159704 0.77 CYP2A6 (0.58) CYP2A6HRH4FLT3
SCHEMBL20391286 0.77 CYP2A6 (0.58) CYP2A6MAPTFLT3
SCHEMBL4273824 0.77 CYP2A6 (0.58) CYP2A6CYP19A1AHRNR4A2HRH4
SCHEMBL5379757 0.77 CYP2A6 (0.58) CYP2A6DAOLOXL2ALDH1A1MAPT

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-4139291-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF Anima Biotech Inc. (US) 2023-03-01 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed