SCHEMBL8935256

SCHEMBL8935256

NCCC(=O)NCc1ccc(OCc2cccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
HPGD P15428 5/20 0.51
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
BLM P54132 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL8935264 0.81 RAB9A (0.54) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL8935382 0.80 ALDH1A1 (0.46) POLBRAB9ANPC1HPGDMEN1
SCHEMBL8935330 0.80 EPHX2 (0.57) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL1680389 0.76 MAOB (0.54) POLBHPGD
SCHEMBL8935432 0.76 SCN3A (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7397015 0.76 SCN9A (0.61) POLBRAB9ANPC1L3MBTL1
SCHEMBL4816702 0.76 SCN9A (0.61) POLBRAB9ANPC1L3MBTL1
SCHEMBL8935279 0.75 MAOB (0.60) POLBSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8935404 0.75 PARP10 (0.56) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL3497972 0.74 POLB (0.53) POLBRAB9ANPC1HPGDSMN1; SMN2

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed