SCHEMBL9501784

SCHEMBL9501784

CCCCNC(=O)c1ccc2c(c1)N(C(CC)N1CCCC1)c1ccccc1S2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
TP53 P04637 5/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CNR1 P21554 3/20 0.44
CNR2 P34972 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41

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 SCHEMBL9784864 0.99 BCHE (0.47) BCHETP53ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9331538 0.94 BCHE (0.46) BCHETP53ALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL9332148 0.93 LMNA (0.45) BCHETP53ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9331559 0.90 LMNA (0.57) TP53ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9331386 0.89 LMNA (0.56) TP53ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9504338 0.89 LMNA (0.56) BCHETP53SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9759697 0.88 BCHE (0.42) BCHETP53ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9504379 0.88 LMNA (0.45) TP53ALDH1A1L3MBTL1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9784944 0.87 LMNA (0.44) TP53ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8973051 0.87 NAMPT (0.43) BCHETP53L3MBTL1SMN1; SMN2MEN1

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