SCHEMBL6618535

SCHEMBL6618535

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.41
▸ CRACR2A Q9BSW2 5/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KCNJ6 P48051 1/20 0.39
▸ KCNJ5 P48544 1/20 0.39
▸ KCNJ3 P48549 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ ALDH2 P05091 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6615258 0.98 CNR1 (0.41) CNR1CRACR2ANPC1RAB9ASMN1; SMN2
SCHEMBL6620569 0.92 CNR1 (0.41) CNR1CRACR2ARAB9ASMN1; SMN2POLB
SCHEMBL6618955 0.92 JAK2 (0.40) CNR1CRACR2ANPC1RAB9ASMN1; SMN2
SCHEMBL6617159 0.89 JAK2 (0.38) CRACR2ANPC1RAB9AJAK2TYK2
SCHEMBL6617620 0.89 CNR1 (0.42) CNR1CRACR2ASMN1; SMN2POLBKCNJ6
SCHEMBL6634119 0.88 CNR1 (0.42) CNR1CRACR2ANPC1RAB9ASMN1; SMN2
SCHEMBL6618981 0.87 JAK2 (0.40) CNR1CRACR2APOLBKCNJ6KCNJ5
SCHEMBL6618467 0.87 RAB9A (0.39) CNR1CRACR2ANPC1RAB9ASMN1; SMN2
SCHEMBL6624191 0.87 CRACR2A (0.46) CNR1CRACR2ASMN1; SMN2KDM4E
SCHEMBL6622866 0.86 KDM4E (0.40) CNR1NPC1RAB9ASMN1; SMN2POLB

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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