SCHEMBL2556947

SCHEMBL2556947

O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.52
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TYR P14679 1/20 0.50
▸ MRE11 P49959 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD17B10 Q99714 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
SCHEMBL2558727 0.85 GSTO1 (0.59) VCPRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2554209 0.84 GSTO1 (0.60) RAB9ANPC1SMN1; SMN2LMNATYR
SCHEMBL2551304 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2LMNATYR
SCHEMBL2560003 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2LMNATYR
SCHEMBL2562423 0.83 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2LMNATYR
SCHEMBL2557174 0.80 PTK2 (0.57) VCPRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2559778 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNATYR
SCHEMBL2554473 0.80 KDM4E (0.57) RAB9ANPC1SMN1; SMN2LMNATYR
SCHEMBL2560048 0.80 KDM4E (0.60) RAB9ANPC1SMN1; SMN2LMNAMRE11
SCHEMBL2558995 0.80 HDAC3 (0.57) RAB9ANPC1SMN1; SMN2LMNATYR

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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