SCHEMBL3920349

SCHEMBL3920349

COc1cc(Cl)cc(C(=O)Cc2ccncc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ F2 P00734 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6281515 0.85 MAPT (0.47) MAPTKDM4ELMNANPC1MEN1
SCHEMBL2477853 0.80 LMNA (0.54) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL16396406 0.80 KMT2A (0.58) SMN1; SMN2MAPTKDM4ELMNANPC1
SCHEMBL2522956 0.79 NPC1 (0.59) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL7386205 0.76 SMN1; SMN2 (0.65) SMN1; SMN2KDM4ELMNAHTTNPC1
SCHEMBL392612 0.76 NPC1 (0.62) SMN1; SMN2KDM4ELMNAHTTNPC1
SCHEMBL27915406 0.76 DDR1 (0.46) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL5626806 0.75 PDE4D (0.56) MAPTKDM4ELMNAHTTNPC1
SCHEMBL3284705 0.75 KDM4E (0.52) SMN1; SMN2MAPTKDM4ELMNANPC1
SCHEMBL9907157 0.74 GSK3B (0.56) KDM4EMEN1KMT2AGAA

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-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 — — EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 — — WO disclosed
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