SCHEMBL9686026

SCHEMBL9686026

CN1C[S+]([O-])c2cc(Cc3ccc(Cl)cc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
POLB P06746 1/20 0.34
HTR6 P50406 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CETP P11597 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL9686135 0.87 IDH1 (0.38) LTA4H
SCHEMBL7766397 0.81
SCHEMBL7762764 0.80 KDM4E (0.55) ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL9684023 0.80 KDM4E (0.35) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL8109679 0.77 MAPT (0.41) POLBHTR6ALDH1A1MAPTSMN1; SMN2
SCHEMBL7760492 0.77
SCHEMBL7761425 0.76 GRIA2 (0.31)
SCHEMBL8114240 0.76 KDM4E (0.37) MEN1KMT2AALDH1A1MAPTTAAR1
Hydrochloric Acid SCHEMBL8870609 0.75 MAPT (0.43) POLBHTR6ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8871802 0.75 LMNA (0.38) MEN1KMT2AALDH1A1MAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed