SCHEMBL10325976

SCHEMBL10325976

O=S(=O)(c1ccc2cc(Br)ccc2c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
EPAS1 Q99814 12/20 0.47
POLB P06746 1/20 0.43
CYP2A6 P11509 1/20 0.42
ESPL1 Q14674 1/20 0.41
PTPRZ1 P23471 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL20656774 0.84 ALDH1A1 (0.57) ALDH1A1EPAS1POLBESPL1PTPRZ1
SCHEMBL7197925 0.82 ALDH1A1 (0.59) ALDH1A1EPAS1POLBESPL1PTPRZ1
SCHEMBL23520947 0.81 LMNA (0.57) ALDH1A1POLBESPL1LMNASMN1; SMN2
SCHEMBL714645 0.80 CA2 (0.50) ALDH1A1EPAS1ESPL1PTPRZ1LMNA
SCHEMBL5526773 0.78 CYP2A6 (0.50) ALDH1A1CYP2A6LMNAKDM4EMEN1
SCHEMBL5989844 0.78 ALDH1A1 (0.50) ALDH1A1EPAS1POLBESPL1PTPRZ1
SCHEMBL3453385 0.77 EPAS1 (0.49) ALDH1A1EPAS1ESPL1
SCHEMBL30487708 0.77 EPAS1 (0.49) ALDH1A1EPAS1ESPL1
SCHEMBL3883747 0.75 AKR1C3 (0.49) ALDH1A1CYP2A6LMNAKDM4EMEN1
SCHEMBL3882038 0.75 LMNA (0.64) ALDH1A1CYP2A6LMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663613-B1 COMPOUNDS FOR A LIQUID CRYSTALLINE MEDIUM AND USE THEREOF FOR HIGH FREQUENCY COMPONENTS MERCK PATENT GMBH (DE) 2016-09-21 EP disclosed
US-9175219-B2 Compounds for a liquid crystalline medium and use thereof for high frequency components MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
EP-2663613-A1 COMPOUNDS FOR A LIQUID CRYSTALLINE MEDIUM AND USE THEREOF FOR HIGH FREQUENCY COMPONENTS Merck Patent GmbH (DE) 2013-11-20 EP disclosed
US-20130277611-A1 COMPOUNDS FOR A LIQUID CRYSTALLINE MEDIUM AND USE THEREOF FOR HIGH FREQUENCY COMPONENTS MERCK PATENT GMBH (DE) 2013-10-24 US disclosed
WO-2012095139-A1 COMPOUNDS FOR A LIQUID CRYSTALLINE MEDIUM AND USE THEREOF FOR HIGH FREQUENCY COMPONENTS MERCK PATENT GMBH (DE) 2012-07-19 WO disclosed