SCHEMBL9800207

SCHEMBL9800207

CCCCNC(=S)NCCCc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CCCNC(=S)NCCCC)c2F)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 4/20 0.34
ALOX12 P18054 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 6/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9800073 0.85 RECQL (0.39) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL483182 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALOX12NPC1RAB9A
SCHEMBL9800114 0.84 MTNR1A (0.37)
SCHEMBL2837791 0.81 ALDH1A1 (0.35) SMN1; SMN2ALOX12KMT2AMEN1ALDH1A1
SCHEMBL2834383 0.80 NPC1 (0.43) SMN1; SMN2LMNANPC1RAB9AHTT
SCHEMBL9800120 0.80 RAB9A (0.43) SMN1; SMN2LMNAALOX12NPC1RAB9A
SCHEMBL9315506 0.79 SMN1; SMN2 (0.36) SMN1; SMN2LMNAALOX12NPC1RAB9A
SCHEMBL9800100 0.79 MTNR1A (0.41) KMT2AMEN1MAPTTRPV1
SCHEMBL9800050 0.79 MEN1 (0.34) SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2834346 0.78 POLB (0.37) MAPT

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
US-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed