SCHEMBL8553478

SCHEMBL8553478

CC(C)c1sc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2c1CCN(C)Cc1cccc2ncncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 4/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33

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
SCHEMBL8192418 0.85 HSP90AA1 (0.38) MAPTSMN1; SMN2ALOX15TSHRLMNA
SCHEMBL8549240 0.85 ALDH1A1 (0.37) MAPTSMN1; SMN2ALOX15TSHRLMNA
SCHEMBL8552959 0.77 KDM4E (0.43) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8708853 0.70 CNR2 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8552755 0.69 KDM4E (0.43) MAPTLMNAMEN1KMT2AALDH1A1
Hexanoate SCHEMBL8547299 0.63 CNR2 (0.39) MAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL8197371 0.61 NPC1 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1GFER
SCHEMBL8704913 0.59 MKNK1 (0.38) MEN1KMT2ACYP2C9
SCHEMBL10722489 0.59 TSHR (1.00) MAPTSMN1; SMN2TSHRLMNAUSP2
SCHEMBL10721777 0.57 MEN1 (0.87) MAPTTSHRLMNAUSP2MAPK1

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