SCHEMBL5501887

SCHEMBL5501887

Cc1sc2cc([N+](=O)[O-])ccc2c1C1=CC(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 8/20 0.36
▸ MAPT P10636 6/20 0.36
▸ HPGD P15428 4/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ HK1 P19367 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ PHOSPHO1 Q8TCT1 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ INSR P06213 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL31736137 0.83 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1MAPTHPGD
SCHEMBL3858215 0.83 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1MAPTHPGD
SCHEMBL1041361 0.79 SMN1; SMN2 (0.39) SMN1; SMN2HTTALDH1A1MAPTHPGD
SCHEMBL3859690 0.73 MAPT (0.43) SMN1; SMN2HTTALDH1A1MAPTTDP1
SCHEMBL13730638 0.72 SMN1; SMN2 (0.51) SMN1; SMN2HTTALDH1A1MAPTHPGD
SCHEMBL749155 0.68 CRHBP (0.53) SMN1; SMN2HTTALDH1A1MAPTHPGD
SCHEMBL12055674 0.65 CRHBP (0.50) SMN1; SMN2HTTALDH1A1MAPTHPGD
SCHEMBL17037090 0.64 SMN1; SMN2 (0.49) SMN1; SMN2HTTALDH1A1MAPTHPGD
SCHEMBL13910134 0.64 ALDH1A1 (0.52) SMN1; SMN2HTTALDH1A1MAPTTDP1
SCHEMBL4870477 0.63 CRHBP (0.45) SMN1; SMN2HTTALDH1A1MAPTHPGD

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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