SCHEMBL5501890

SCHEMBL5501890

CC1=C(c2csc3cc([N+](=O)[O-])ccc23)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ TDP1 Q9NUW8 5/20 0.35
▸ TSHR P16473 3/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ CYP3A4 P08684 4/20 0.33
▸ PHOSPHO1 Q8TCT1 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 5/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 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
SCHEMBL3858215 0.73 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1TDP1TSHR
SCHEMBL31736137 0.73 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1TDP1TSHR
SCHEMBL1041361 0.70 SMN1; SMN2 (0.39) SMN1; SMN2HTTALDH1A1TDP1TSHR
SCHEMBL3859690 0.68 MAPT (0.43) SMN1; SMN2HTTALDH1A1TDP1TSHR
SCHEMBL25221160 0.68 PHOSPHO1 (0.43) SMN1; SMN2HTTALDH1A1TDP1TSHR
SCHEMBL2843783 0.66 ALDH1A1 (0.51) SMN1; SMN2HTTALDH1A1TDP1CYP3A4
SCHEMBL11948485 0.65 KMT2A (0.53) SMN1; SMN2ALDH1A1TDP1TSHRCYP1A2
SCHEMBL2842217 0.65 NPC1 (0.46) SMN1; SMN2ALDH1A1TDP1NPC1RAB9A
SCHEMBL10373575 0.65 CYP2A6 (0.50) SMN1; SMN2HTTALDH1A1TDP1TSHR
SCHEMBL5338932 0.64 ALDH1A1 (0.52) SMN1; SMN2HTTALDH1A1TDP1TSHR

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 2 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
EP-1637570-A1 Color-memorizing photochromic writing instrument THE PILOT INK CO., LTD. (JP) 2006-03-22 — — EP disclosed
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