SCHEMBL6779765

SCHEMBL6779765

Fc1cc(Cl)ccc1Oc1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.54
FPR2 P25090 4/20 0.43
SCN4A P35499 1/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ERBB2 P04626 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL6779530 0.86 SCN4A (0.52) SCN9ASCN4AERBB2
SCHEMBL6774958 0.83 SCN4A (0.43) SCN9ASCN4AMAPTALDH1A1ERBB2
SCHEMBL28822256 0.80 LTA4H (0.51) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL15418939 0.80 PARP10 (0.45) SCN4AMEN1ALDH1A1KMT2AERBB2
SCHEMBL3369519 0.78 SCN9A (0.52) SCN9AFPR2SCN4ACYP1A2MAPT
SCHEMBL24664799 0.78 LTA4H (0.51) MAPTKDM4EMEN1ALDH1A1CYP2C9
SCHEMBL1645103 0.75 METAP2 (0.50) MAPTMEN1KMT2AHAO1L3MBTL1
SCHEMBL6324173 0.74 SCN9A (0.50) SCN9AFPR2CYP1A2MAPTKDM4E
SCHEMBL1385301 0.74 SCN4A (0.51) SCN9ASCN4AMAPTKDM4EMEN1
SCHEMBL13978567 0.73 SCN4A (0.41) SCN9ASCN4AMAPTKDM4EMEN1

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
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US disclosed