SCHEMBL8552436

SCHEMBL8552436

Cc1oc2ccc(NC(=O)c3cccs3)cc2c1CCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.49
MEN1 O00255 9/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 10/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
HPGD P15428 7/20 0.46
NPSR1 Q6W5P4 4/20 0.46
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 3/20 0.45
POLB P06746 2/20 0.45
PKM P14618 2/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8550888 0.83 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8549838 0.81 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL8549636 0.81 HTR1F (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8548295 0.80 RAB9A (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7140138 0.80 HTR1F (0.66) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8547488 0.79 HTR1F (0.53) KMT2AMEN1MAPTLMNANPC1
SCHEMBL8552580 0.79 HTR1F (0.65) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL8552326 0.77 KMT2A (0.45) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8552089 0.77 HTR1F (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL8549211 0.77 HTR1F (0.49) MAPTALDH1A1NPC1RAB9AKDM4E

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
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed