SCHEMBL9759106

SCHEMBL9759106

CC(C)CCNC(=S)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TP53 P04637 4/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35

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
Hydrochloric Acid SCHEMBL9331448 0.99 LMNA (0.44) LMNATP53BCHEACHEMAPT
Hydrochloric Acid SCHEMBL9331453 0.99 LMNA (0.44) LMNATP53BCHEACHEMAPT
SCHEMBL9331866 0.99 LMNA (0.44) LMNATP53BCHEACHEMAPT
SCHEMBL9331872 0.99 LMNA (0.44) LMNATP53BCHEACHEMAPT
Hydrochloric Acid SCHEMBL9759850 0.94 LMNA (0.39) LMNATP53BCHEACHEMAPT
Hydrochloric Acid SCHEMBL9759857 0.94 LMNA (0.39) LMNATP53BCHEACHEMAPT
SCHEMBL9332064 0.91 BCHE (0.40) LMNABCHEACHEMAPTMEN1
SCHEMBL9332060 0.91 BCHE (0.40) LMNABCHEACHEMAPTMEN1
Hydrochloric Acid SCHEMBL9758630 0.91 LMNA (0.36) LMNATP53BCHEACHEMEN1
Hydrochloric Acid SCHEMBL9758634 0.91 LMNA (0.36) LMNATP53BCHEACHEMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed
US-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed