SCHEMBL7572306

SCHEMBL7572306

CCCCOc1cc(Br)c(OCCCC)c(C#N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 3/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7715410 0.86 L3MBTL1 (0.39) THRATHRBALDH1A1SMN1; SMN2HPGD
SCHEMBL7573040 0.80 THRA (0.39) THRATHRBALDH1A1SMN1; SMN2MEN1
SCHEMBL7603084 0.79 HPGD (0.37) THRBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29837403 0.76 HPGD (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL7050071 0.76 HPGD (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL7573073 0.76 KDM4E (0.39) THRATHRBALDH1A1SMN1; SMN2MEN1
SCHEMBL7573752 0.76 ALDH1A1 (0.33) THRATHRBALDH1A1SMN1; SMN2HPGD
SCHEMBL20107668 0.74 ALDH1A1 (0.44) ALDH1A1HPGDAR
SCHEMBL7580611 0.74 MAPT (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7573743 0.74 MAPT (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed