SCHEMBL6606969

SCHEMBL6606969

CCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccs3)cc2O)cc1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ RAB9A P51151 9/20 0.43
▸ MEN1 O00255 9/20 0.43
▸ KMT2A Q03164 9/20 0.43
▸ NPC1 O15118 7/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ GAA P10253 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 7/20 0.41
▸ QRFPR Q96P65 1/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ USP2 O75604 2/20 0.40
▸ MAPK1 P28482 2/20 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
SCHEMBL6675599 0.90 NPC1 (0.45) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL6616601 0.88 ACKR3 (0.48) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL6603404 0.88 RAB9A (0.40) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL6618879 0.87 SMN1; SMN2 (0.43) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL6618279 0.86 MAPK14 (0.41) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL6617884 0.86 ACKR3 (0.42) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL6620323 0.86 TYK2 (0.41) —
SCHEMBL6602256 0.85 RAB9A (0.41) POLBRAB9ALMNAMAPT
SCHEMBL6618494 0.85 ACKR3 (0.41) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL6618436 0.85 RAB9A (0.43) POLBRAB9AMEN1KMT2ANPC1

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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