SCHEMBL7971605

SCHEMBL7971605

O=C(NC1CCC1)c1cc(O)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ MLLT3 P42568 1/20 0.52
▸ MLLT1 Q03111 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ THRB P10828 1/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ S1PR1 P21453 1/20 0.48

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
SCHEMBL2546886 0.94 RAB9A (0.52) RAB9AKMT2AGAAMAPTRXFP1
SCHEMBL21489685 0.88 SMYD3 (0.52) RAB9AKMT2AGAAMLLT3MLLT1
SCHEMBL19710315 0.88 SMYD3 (0.52) RAB9AKMT2AGAAMLLT3MLLT1
SCHEMBL23575941 0.84 SMYD3 (0.61) —
SCHEMBL19710202 0.84 SMYD3 (0.61) —
SCHEMBL20460381 0.84 RAB9A (0.44) RAB9AKMT2AGAAMAPTRXFP1
SCHEMBL20460316 0.83 ALOX15 (0.63) RAB9AKMT2AGAAMAPTSMN1; SMN2
SCHEMBL6889670 0.82 GAA (0.59) RAB9AKMT2AGAAMAPTRXFP1
SCHEMBL21489903 0.81 SMYD3 (0.48) RAB9AKMT2AGAARXFP1LMNA
SCHEMBL20460359 0.81 ALOX15 (0.63) RAB9AKMT2AGAAMAPTRXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010003475-A2 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-01-14 — — WO disclosed
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