SCHEMBL8552326

SCHEMBL8552326

Cc1oc2ccc(NC(=O)c3cccs3)cc2c1CCNCc1noc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.45
MAPT P10636 9/20 0.45
ALDH1A1 P00352 8/20 0.45
MEN1 O00255 6/20 0.45
NPSR1 Q6W5P4 6/20 0.45
HPGD P15428 6/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
POLB P06746 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
NR1I3 Q14994 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL8553318 0.86 MAPT (0.43) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL8550888 0.85 KMT2A (0.44) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL7145588 0.85 MAPT (0.42) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL8552436 0.77 KMT2A (0.49) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL7136637 0.71 HTR1F (0.46) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL24479782 0.62 MAPT (0.71) MAPTNPSR1HPGDSMN1; SMN2NPC1
SCHEMBL8548442 0.62 HTR1F (0.48) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL24479619 0.62 MAPT (1.00) KMT2AMAPTNPSR1HPGDSMN1; SMN2
SCHEMBL3863967 0.62 NPC1 (0.55) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL8549636 0.62 HTR1F (0.51) KMT2AMAPTALDH1A1MEN1NPSR1

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-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed