SCHEMBL7096191

SCHEMBL7096191

O=c1[nH]c2ccccc2s1.c1ccc2snnc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.42
PDE3B Q13370 6/20 0.41
PDE3A Q14432 6/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
PSMB8 P28062 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL83411 0.81 CMA1 (0.59) CMA1PDE3BPDE3AALDH1A1KDM4E
SCHEMBL29667911 0.81 CMA1 (0.59) CMA1PDE3BPDE3AALDH1A1KDM4E
SCHEMBL4622486 0.79 CMA1 (0.57) CMA1PDE3BPDE3AALDH1A1KDM4E
Bromide SCHEMBL9589695 0.79 CMA1 (0.57) CMA1PDE3BPDE3AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27353717 0.79 CMA1 (0.57) CMA1PDE3BPDE3AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4566776 0.79 CMA1 (0.57) CMA1PDE3BPDE3AALDH1A1KDM4E
SCHEMBL20597066 0.78 MAPT (0.39) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL8615 0.77
SCHEMBL3474819 0.77
SCHEMBL29586296 0.77

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-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed