SCHEMBL23084182

SCHEMBL23084182

CCCCc1ccc(N=Nc2ccc(N=Nc3ccc(N4CCSCC4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.44
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ ME2 P23368 1/20 0.36
▸ ME1 P48163 1/20 0.36
▸ ME3 Q16798 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LGMN Q99538 1/20 0.36
▸ ADRA1D P25100 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL19844459 0.92 S1PR1 (0.40) S1PR1CYP3A4CYP2D6CYP2C9L3MBTL3
SCHEMBL21400594 0.87 S1PR1 (0.47) S1PR1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL12425120 0.87 S1PR1 (0.47) S1PR1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL19844474 0.87 S1PR1 (0.46) S1PR1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL21242508 0.85 S1PR1 (0.58) S1PR1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL18405983 0.84 LMNA (0.46) S1PR1ALDH1A1MAPTL3MBTL3L3MBTL1
SCHEMBL17281296 0.83 HRH3 (0.50) S1PR1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL21593839 0.81 MAPT (0.46) S1PR1ALDH1A1MAPTPOLBMGLL
SCHEMBL18405987 0.81 S1PR1 (0.54) S1PR1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL21400591 0.81 S1PR1 (0.54) S1PR1CYP3A4CYP2D6CYP2C9ALDH1A1

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-20210072443-A1 POLARIZER AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-03-11 — — US disclosed
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