SCHEMBL6614519

SCHEMBL6614519

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NC3CC3)n2)c(O)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.50
▸ NPC1 O15118 11/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ NFKB1 P19838 4/20 0.50
▸ NFKB2 Q00653 4/20 0.50
▸ RELA Q04206 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ CASP3 P42574 5/20 0.48
▸ SENP7 Q9BQF6 5/20 0.48
▸ SENP8 Q96LD8 2/20 0.48
▸ SENP6 Q9GZR1 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 8/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ TP53 P04637 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAOB P27338 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45

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
SCHEMBL6617260 0.97 RAB9A (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6618305 0.95 RAB9A (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6686023 0.95 NPC1 (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6613803 0.92 NPC1 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6613283 0.92 NPC1 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6616661 0.90 NPC1 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6688464 0.88 KMT2A (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6616734 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6687699 0.85 KMT2A (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6620121 0.84 CASP3 (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 disclosed
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 disclosed
Send feedback