SCHEMBL5501889

SCHEMBL5501889

Cc1sc2ccc([N+](=O)[O-])cc2c1C1=CC(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ MCL1 Q07820 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ AHR P35869 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL5501887 0.91 SMN1; SMN2 (0.39) MAPTALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL3859690 0.83 MAPT (0.43) MAPTALDH1A1SMN1; SMN2POLBMCL1
SCHEMBL3858215 0.73 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL31736137 0.73 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL23612353 0.69 MAPT (0.46) MAPTALDH1A1SMN1; SMN2POLBMCL1
SCHEMBL30061649 0.69 MAPT (0.46) MAPTALDH1A1SMN1; SMN2POLBMCL1
SCHEMBL1041361 0.69 SMN1; SMN2 (0.39) MAPTALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL11118149 0.68 SMN1; SMN2 (0.50) MAPTALDH1A1SMN1; SMN2POLBMCL1
SCHEMBL13910134 0.64 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL11714259 0.63 HSPB1 (0.47) MAPTALDH1A1SMN1; SMN2POLBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637570-B1 Color-memorizing photochromic writing instrument PILOT INK CO LTD (JP) 2007-06-27 — — EP disclosed
CN-1315555-C Method of alternatively dioplaying photochromic action of memory color in toy assembly, and photochromic toy having alternatively color memory PILOT INK CO LTD (JP) 2007-05-16 — — CN disclosed
EP-1637570-A1 Color-memorizing photochromic writing instrument THE PILOT INK CO., LTD. (JP) 2006-03-22 — — EP disclosed
CN-1498666-A Method of alternatively dioplaying photochromic action of memory color in toy assembly, and photochromic toy having alternatively color memory ��ī�����˹��ʽ���� 2004-05-26 — — CN disclosed
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