SCHEMBL2559540

SCHEMBL2559540

O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.65
▸ NPC1 O15118 5/20 0.65
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ MAPT P10636 4/20 0.63
▸ LMNA P02545 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ MCOLN3 Q8TDD5 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ ABL1 P00519 2/20 0.61
▸ GSTO1 P78417 1/20 0.61
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ AR P10275 1/20 0.54
▸ MAOA P21397 1/20 0.53

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
SCHEMBL7258047 0.93 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2557090 0.88 KDM4E (0.63) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2562374 0.85 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2554108 0.83 KDM4E (0.63) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2555806 0.83 KDM4E (0.63) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2554299 0.83 ABL1 (0.67) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2556997 0.83 KDM4E (0.63) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2558948 0.83 KDM4E (0.63) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2557829 0.83 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2557289 0.83 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTLMNA

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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