SCHEMBL5450048

SCHEMBL5450048

Cc1occc1C(=O)NC(=S)Nc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 4/20 0.62
MAPK1 P28482 1/20 0.59
ESR2 Q92731 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 3/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 7/20 0.58
NPSR1 Q6W5P4 1/20 0.54
ALOX12 P18054 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL5445578 0.82 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL5454001 0.80 POLB (0.59) RAB9ANPC1MAPK1ESR2SMN1; SMN2
SCHEMBL5449642 0.79 RAB9A (0.60) RAB9ANPC1MAPK1ESR2SMN1; SMN2
SCHEMBL5448122 0.77 NPC1 (0.58) RAB9ANPC1MAPK1ESR2SMN1; SMN2
SCHEMBL5450396 0.76 ALDH1A1 (0.72) RAB9ANPC1MAPK1SMN1; SMN2GAA
SCHEMBL29661194 0.75 ALDH1A1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL5445822 0.75 RAB9A (0.73) RAB9ANPC1MAPK1SMN1; SMN2KDM4E
SCHEMBL12857742 0.75 RAB9A (1.00) RAB9ANPC1MAPK1ESR2SMN1; SMN2
SCHEMBL11364578 0.75 RAB9A (0.72) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28033910 0.74 MAPT (0.69) RAB9ANPC1MAPK1SMN1; SMN2GAA

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed