SCHEMBL6036738

SCHEMBL6036738

CC(=O)Nc1ccc(I)cc1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MB P02144 1/20 0.52
CYP1A1 P04798 1/20 0.52
CA3 P07451 1/20 0.52
CYP3A4 P08684 1/20 0.52
RARG P13631 1/20 0.52
TSHR P16473 1/20 0.52
ALOX5AP P20292 1/20 0.52

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
SCHEMBL669782 0.88 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL19227686 0.78 MAPT (0.71) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL861674 0.77 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL14336092 0.75 SMN1; SMN2 (0.56) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
Acetaminophen SCHEMBL5325262 0.75 KMT2A (0.83) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL8887300 0.75 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL17200742 0.71 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL14029173 0.71 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL24073679 0.71 KMT2A (0.64) SMN1; SMN2HTTKMT2AMEN1TDP1
SCHEMBL2615418 0.71 KMT2A (0.81) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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-1723455-A1 PROCESS FOR PRODUCING PHOTONIC CRYSTALS AND CONTROLLED DEFECTS THEREIN 3M Innovative Properties Company (US) 2006-11-22 EP disclosed
WO-2005066672-A1 PROCESS FOR PRODUCING PHOTONIC CRYSTALS AND CONTROLLED DEFECTS THEREIN 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO disclosed