SCHEMBL8405081

SCHEMBL8405081

O=C(O)CONc1c(F)cccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
MRGPRX4 Q96LA9 1/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
BRD4 O60885 2/20 0.44
ELANE P08246 3/20 0.44
F2 P00734 1/20 0.44
PTGER1 P34995 1/20 0.43
KDM1A O60341 2/20 0.43
SGMS2 Q8NHU3 2/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL8407940 0.77 NPC1 (0.54) NPC1MRGPRX4MEN1KMT2AMAPT
SCHEMBL8431920 0.77 NPC1 (0.54) NPC1MRGPRX4MEN1KMT2AMAPT
SCHEMBL5042071 0.76 NPC1 (0.52) NPC1MRGPRX4MEN1KMT2AMAPT
SCHEMBL2892753 0.75 NPC1 (0.52) NPC1MRGPRX4MEN1KMT2AMAPT
SCHEMBL2894833 0.73 NPC1 (0.50) NPC1MRGPRX4MEN1KMT2AMAPT
SCHEMBL2897224 0.73 MRGPRX4 (0.62) NPC1MRGPRX4MEN1KMT2AMAPT
SCHEMBL1766157 0.72 NPC1 (0.56) NPC1MRGPRX4MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL28557881 0.72 NPC1 (0.48) NPC1MRGPRX4MEN1KMT2AMAPT
SCHEMBL4267531 0.71 MRGPRX4 (0.63) NPC1MRGPRX4MEN1KMT2AMAPT
SCHEMBL31562742 0.71 PTGDR2 (0.58) NPC1MAPTL3MBTL1BRD4ELANE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628536-B1 Process for the preparation of aromatic amines CLARIANT GMBH (DE) 1999-07-14 EP disclosed
US-5410082-A Process for preparing amines CLARIANT GMBH (DE) 1995-04-25 US disclosed
EP-0628536-A2 Process for the preparation of amines HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-14 EP disclosed