SCHEMBL6646084

SCHEMBL6646084

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.41
▸ KMT2A Q03164 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ ABL1 P00519 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ KISS1R Q969F8 1/20 0.39
▸ LMNA P02545 6/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL6618494 0.98 ACKR3 (0.41) ACKR3KMT2AMEN1POLBSMN1; SMN2
SCHEMBL6618436 0.92 RAB9A (0.43) ACKR3KMT2AMEN1ABL1POLB
SCHEMBL6616601 0.91 ACKR3 (0.48) ACKR3KMT2AMEN1POLBSMN1; SMN2
SCHEMBL6618879 0.91 SMN1; SMN2 (0.43) ACKR3KMT2AMEN1POLBSMN1; SMN2
SCHEMBL6616301 0.90 ALDH1A1 (0.48) KMT2AMEN1ABL1POLBSMN1; SMN2
SCHEMBL6620870 0.89 MAPT (0.43) ACKR3KMT2AMEN1POLBSMN1; SMN2
SCHEMBL6617986 0.88 MAPT (0.43) ACKR3KMT2AMEN1POLBSMN1; SMN2
SCHEMBL6618286 0.88 ACKR3 (0.42) ACKR3KMT2AMEN1ABL1POLB
SCHEMBL6617884 0.86 ACKR3 (0.42) ACKR3KMT2AMEN1ABL1POLB
SCHEMBL6617424 0.85 MEN1 (0.44) ACKR3KMT2AMEN1ABL1POLB

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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