SCHEMBL10606300

SCHEMBL10606300

CN1c2cccc3cccc(c23)NC1C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 10/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ HPGD P15428 6/20 0.45
▸ ALOX12 P18054 3/20 0.45
▸ KMT2A Q03164 17/20 0.43
▸ MAPT P10636 7/20 0.39
▸ MEN1 O00255 16/20 0.37
▸ THRB P10828 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ NPC1 O15118 6/20 0.36
▸ HPN P05981 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ APP P05067 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL8317948 0.76 GAA (0.56) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL16504030 0.74 GAA (0.50) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL21368249 0.70 KDM4E (0.55) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL10604558 0.70 KMT2A (0.37) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL24074587 0.66 KDM4E (0.75) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL13012832 0.66 KMT2A (0.44) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL28489824 0.64 KMT2A (0.55) GAAALDH1A1KDM4EHPGDALOX12
Pyrene SCHEMBL16192632 0.64 ALDH1A1 (0.58) GAAALDH1A1KDM4EHPGDKMT2A
SCHEMBL10604575 0.63 KMT2A (0.36) GAAALDH1A1KDM4EHPGDALOX12
SCHEMBL8318923 0.62 KMT2A (0.41) GAAALDH1A1KDM4EHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107492-B1 HELICHROMIC-SMECTIC LIQUID CRYSTAL COMPOSITIONS AND DISPLAY CELLS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-09 — — EP disclosed
US-4514045-A DICHROISM; COMPLETE LIGHT ABSORPTION; LOW VOLTAGE; CONTRAST MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-30 — — US disclosed
EP-0107492-A2 Helichromic-smectic liquid crystal compositions and display cells MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-02 — — EP disclosed
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