SCHEMBL6619573

SCHEMBL6619573

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6616778 0.95 JAK2 (0.41) JAK2JAK3ALDH1A1SMN1; SMN2LMNA
SCHEMBL6618768 0.91 MEN1 (0.46) JAK3ALDH1A1SMN1; SMN2ALOX12POLB
SCHEMBL6631319 0.88 JAK2 (0.39) JAK2JAK3ALDH1A1SMN1; SMN2LMNA
SCHEMBL6614766 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL6620487 0.86 CHRNA7 (0.37) ALDH1A1SMN1; SMN2LMNACHRNA7NPC1
SCHEMBL6618491 0.86 MEN1 (0.45) JAK3ALDH1A1SMN1; SMN2ALOX12POLB
SCHEMBL6622540 0.86 RAB9A (0.44) ALDH1A1SMN1; SMN2LMNAPOLBNPC1
SCHEMBL6617042 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL6675599 0.85 NPC1 (0.45) ALDH1A1SMN1; SMN2LMNAPOLBNPC1
SCHEMBL6616682 0.85 NAMPT (0.42) ALDH1A1SMN1; SMN2LMNARECQLPOLB

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-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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