SCHEMBL2560003

SCHEMBL2560003

O=C(Nc1nc(-c2ccccc2-c2ccccc2)cs1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ LMNA P02545 6/20 0.54
▸ TYR P14679 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ADORA3 P0DMS8 3/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ELOVL1 Q9BW60 1/20 0.50

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
SCHEMBL2557090 0.88 KDM4E (0.63) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL2554209 0.87 GSTO1 (0.60) RAB9ASMN1; SMN2NPC1LMNATYR
SCHEMBL2562423 0.86 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1LMNATYR
SCHEMBL2558727 0.86 GSTO1 (0.59) RAB9ASMN1; SMN2NPC1LMNATYR
SCHEMBL2551304 0.86 RAB9A (0.54) RAB9ASMN1; SMN2NPC1LMNATYR
SCHEMBL27310736 0.83 LMNA (0.59) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL2556947 0.83 VCP (0.52) RAB9ASMN1; SMN2NPC1LMNATYR
SCHEMBL2559778 0.83 RAB9A (0.51) RAB9ASMN1; SMN2NPC1LMNATYR
SCHEMBL2557174 0.83 PTK2 (0.57) RAB9ASMN1; SMN2NPC1LMNATYR
SCHEMBL2554473 0.83 KDM4E (0.57) RAB9ASMN1; SMN2NPC1LMNATYR

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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