SCHEMBL9504359

SCHEMBL9504359

CC(C)CNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR1 P21554 2/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 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
Hydrochloric Acid SCHEMBL9784931 0.99 LMNA (0.45) LMNAKMT2AGAAHSD17B10CNR1
Hydrochloric Acid SCHEMBL9784927 0.99 LMNA (0.45) LMNAKMT2AGAAHSD17B10CNR1
SCHEMBL9784946 0.92 LMNA (0.42) LMNAKMT2ABCHEACHEMEN1
SCHEMBL9784941 0.92 LMNA (0.42) LMNAKMT2ABCHEACHEMEN1
SCHEMBL9784862 0.92 LMNA (0.42) LMNAKMT2ABCHEACHEMEN1
SCHEMBL8973044 0.92 NAMPT (0.43) LMNAKMT2ABCHEACHEMEN1
SCHEMBL9784867 0.92 LMNA (0.42) LMNAKMT2ABCHEACHEMEN1
Hydrochloric Acid SCHEMBL9784907 0.91 NAMPT (0.42) LMNAKMT2ABCHEACHEMEN1
Hydrochloric Acid SCHEMBL9784840 0.91 NAMPT (0.42) LMNAKMT2ABCHEACHEMEN1
Hydrochloric Acid SCHEMBL9784897 0.91 NAMPT (0.42) LMNAKMT2ABCHEACHEMEN1

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
EP-0346238-B1 ANALGESIC PHENOTHIAZINE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-06-09 EP claimed
US-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed