SCHEMBL2554058

SCHEMBL2554058

O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.64
▸ LMNA P02545 4/20 0.60
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPT P10636 7/20 0.57
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ GFER P55789 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAOA P21397 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ ROCK1 Q13464 1/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ NFKB1 P19838 1/20 0.51

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
SCHEMBL2554564 0.88 MAOA (0.62) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL2554108 0.84 KDM4E (0.63) RAB9ALMNAKDM4EMAPTMEN1
SCHEMBL2555806 0.84 KDM4E (0.63) RAB9ALMNAKDM4EMAPTMEN1
SCHEMBL2554299 0.84 ABL1 (0.67) RAB9ALMNAKDM4EMAPTMEN1
SCHEMBL2558948 0.84 KDM4E (0.63) RAB9ALMNAKDM4EMAPTMEN1
SCHEMBL2556997 0.84 KDM4E (0.63) RAB9ALMNAKDM4EMAPTMEN1
SCHEMBL2557090 0.84 KDM4E (0.63) RAB9ALMNAKDM4EMAPTMEN1
SCHEMBL2562649 0.82 KDM4E (0.58) RAB9ALMNAKDM4EMAPTMEN1
SCHEMBL2559582 0.82 KDM4E (0.86) RAB9ALMNAKDM4EMAPTMEN1
SCHEMBL2553531 0.82 KDM4E (0.61) RAB9ALMNAKDM4EMAPTMEN1

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-2011130515-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-20 — — WO claimed
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