SCHEMBL21082440

SCHEMBL21082440

C/C1=C/C(=C/N)CNc2ccccc2S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL4510651 0.64 GAA (0.52) GAAMAPTMEN1KMT2AALOX15
SCHEMBL8556056 0.64 GAA (0.46) GAAMAPTMEN1KMT2AALOX15
SCHEMBL10352648 0.64 GAA (0.52) GAAMAPTMEN1KMT2AALOX15
SCHEMBL8563069 0.62 MEN1 (0.43) GAAMAPTMEN1KMT2AALOX15
SCHEMBL8561569 0.62 MEN1 (0.47) GAAMAPTMEN1KMT2AALOX15
SCHEMBL14069636 0.62 GAA (0.37) GAAMAPTMEN1KMT2AALOX15
SCHEMBL8091899 0.62 NOX1 (0.48) GAAMAPTMEN1KMT2AALOX15
SCHEMBL14128490 0.61 GAA (0.39) GAAMAPTMEN1KMT2AALOX15
Phenothiazine SCHEMBL27563630 0.58 NOX1 (0.85) GAAMAPTMEN1KMT2AALOX15
SCHEMBL4806818 0.57 NOX1 (0.65) GAAMAPTMEN1KMT2AALOX15

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
EP-3492473-A1 HAPTENS OF OLANZIPINE Janssen Pharmaceutica NV (BE) 2019-06-05 — — EP disclosed
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