SCHEMBL7363378

SCHEMBL7363378

O=C(O)C1=CCCN(CCC=C(c2ccsc2)c2ccsc2)C1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.72
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
BLM P54132 2/20 0.45
PMP22 Q01453 2/20 0.45
CYP2C9 P11712 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 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
SCHEMBL7358137 0.91 SLC6A1 (0.61) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7360508 0.88 SLC6A1 (0.60) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL5162505 0.84 SLC6A1 (1.00) SLC6A1KMT2AKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL10964415 0.83 SLC6A1 (0.97) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7360495 0.81 SLC6A1 (0.80) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7356644 0.79 SLC6A1 (0.72) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7394339 0.79 SLC6A1 (0.69) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9526360 0.78 SLC6A1 (0.86) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9773369 0.78 SLC6A1 (0.61) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7362815 0.77 SLC6A1 (0.63) SLC6A1

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
EP-0236342-B1 AMINO ACID DERIVATIVES NOVO NORDISK A/S (DK) 1991-09-11 EP disclosed
EP-0236342-A1 AMINO ACID DERIVATIVES. NOVO INDUSTRI AS (DK) 1987-09-16 EP disclosed
WO-1987000171-A1 AMINO ACID DERIVATIVES NOVO INDUSTRI A/S (DK) 1987-01-15 WO disclosed