SCHEMBL8996413

SCHEMBL8996413

CNC(CCNc1cc(Cl)ccc1S)NC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.33
MAPT P10636 3/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 2/20 0.31
CCR1 P32246 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FERMT2 Q96AC1 1/20 0.30

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
SCHEMBL8869324 0.80 ALDH1A1 (0.36) MAPTPKMCYP1A2ALDH1A1NPSR1
SCHEMBL10814027 0.74 NPSR1 (0.55) MAPTALDH1A1NPSR1POLBGAA
SCHEMBL8996438 0.72 SLC6A2 (0.36) MAPTPKMCYP1A2SLC6A2SLC6A4
SCHEMBL8996432 0.72 FERMT2 (0.56) CYP1A2ALDH1A1NPSR1POLBGAA
SCHEMBL10806223 0.72 GAA (0.44) MAPTALDH1A1POLBGAASMN1; SMN2
SCHEMBL29176166 0.66 KMT2A (0.44) MAPTCYP1A2ALDH1A1NPSR1POLB
SCHEMBL7289181 0.61 NPSR1 (0.58) MAPTALDH1A1NPSR1POLBGAA
SCHEMBL27989802 0.61 KDM4E (0.57) MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL13285566 0.61 MRGPRX4 (0.49) ALDH1A1
SCHEMBL16696023 0.61 KDM4E (0.57) PKMALDH1A1NPSR1SMN1; SMN2

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-5550143-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1996-08-27 US disclosed
EP-0572308-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-12-01 EP disclosed