SCHEMBL9745651

SCHEMBL9745651

O=S(=O)(OCc1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CA2 P00918 2/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
NQO2 P16083 1/20 0.42
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
ACP3 P15309 1/20 0.40
RORC P51449 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL1607285 0.81 CA2 (0.50) TDP1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL10299307 0.80 KMT2A (0.46) TDP1CA2MEN1KMT2ACYP1A2
SCHEMBL30363574 0.78 MEN1 (0.51) TDP1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL776996 0.78 IDO1 (0.48) CA2MEN1KMT2ANPC1RAB9A
SCHEMBL8637781 0.77 CA2 (0.43) CA2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL21645319 0.77 IDO1 (0.56) TDP1CA2FFAR1AKR1B1KMT2A
Ammonia Solution, Strong SCHEMBL28355658 0.77 IDO1 (0.47) CA2MEN1KMT2ANPC1RAB9A
SCHEMBL5679281 0.77 CA2 (0.45) TDP1CA2FFAR1MEN1KMT2A
SCHEMBL28509699 0.77 CA2 (0.49) CA2FFAR1KMT2ANPC1RAB9A
SCHEMBL5676950 0.77 IDO1 (0.47) CA2NPC1RAB9ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171909-B1 SPIRO-OXAZINE COMPOUNDS AND PREPARATION THEREOF AND PHOTOCHROMIC SHAPED ARTICLE TORAY INDUSTRIES, INC. (JP) 1992-01-08 EP disclosed
US-4784474-A LENSES; WINDOWS TORAY INDUSTRIES, INC. (JP) 1988-11-15 US disclosed
EP-0171909-A1 Spiro-oxazine compounds and preparation thereof and photochromic shaped article TORAY INDUSTRIES, INC. (JP) 1986-02-19 EP disclosed