SCHEMBL1448159

SCHEMBL1448159

COc1cccc(O)c1C(C)=NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NOS2 P35228 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL1448157 1.00 TP53 (0.44) TP53CA1CA2TSHRALDH1A1
SCHEMBL1448154 1.00 TP53 (0.44) TP53CA1CA2TSHRALDH1A1
SCHEMBL5797993 0.78 NPSR1 (0.53) TP53KDM4ELMNAHPGDNOS2
SCHEMBL1449440 0.76 TP53 (0.53) TP53CA1CA2TSHRALDH1A1
SCHEMBL1449437 0.76 TP53 (0.53) TP53CA1CA2TSHRALDH1A1
SCHEMBL1449441 0.76 TP53 (0.53) TP53CA1CA2TSHRALDH1A1
Oletimol SCHEMBL1449613 0.73 KMT2A (0.57) CA1CA2TSHRALDH1A1KDM4E
Oletimol SCHEMBL1449615 0.73 KMT2A (0.57) CA1CA2TSHRALDH1A1KDM4E
Oletimol SCHEMBL1449610 0.73 KMT2A (0.57) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL28097048 0.71 TDP1 (0.56) CA1CA2ALDH1A1LMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373758-B1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2017-05-10 EP disclosed
US-8547625-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
EP-2373758-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-10-12 EP disclosed
US-7911676-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
US-20110051223-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (FL) 2011-03-03 US disclosed
WO-2010074969-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2010-07-01 WO disclosed
US-20100149620-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2010-06-17 US disclosed