SCHEMBL11020529

SCHEMBL11020529

[CH2]c1cc(Br)cc(Br)c1NC(=O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
NPC1 O15118 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
HDAC1 Q13547 1/20 0.50
GAA P10253 1/20 0.48
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.45
GFER P55789 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11020534 0.83 POLB (0.54) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1306664 0.82 RAB9A (0.50) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10646050 0.71 GRIN2D (0.41) RAB9ASMN1; SMN2MEN1KMT2ANPC1
Neltenexine SCHEMBL20299 0.71 CYP1A2 (0.51) RAB9ASMN1; SMN2MEN1KMT2ANPC1
Neltenexine SCHEMBL10650927 0.71 CYP3A4 (0.52) RAB9ASMN1; SMN2MEN1KMT2ANPC1
Neltenexine SCHEMBL15673426 0.71 CYP3A4 (0.52) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28844856 0.71 KMT2A (0.74) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL29684523 0.71 KMT2A (0.74) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL25351544 0.70 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL30535354 0.70 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2MEN1KMT2ANPC1

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
EP-0150787-A2 Compound having antibronchopneumopathic activity, process for its preparation and pharmaceutical compositions containing it PULITZER ITALIANA S.p.A. (IT) 1985-08-07 EP claimed