SCHEMBL8470601

SCHEMBL8470601

Cc1ccc([C](c2ccc(C)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KMT2A Q03164 4/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.47
CTSL P07711 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
LMNA P02545 2/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.43

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
SCHEMBL4083436 0.86 CES2 (0.58) ALDH1A1KMT2AMEN1CES2CES1
SCHEMBL1775710 0.86 ALDH1A1 (0.58) ALDH1A1KMT2AHTTMEN1CES2
SCHEMBL808 0.83
SCHEMBL5388314 0.80 CES2 (0.76) ALDH1A1KMT2AHTTMEN1POLB
SCHEMBL870184 0.80 LMNA (0.76) ALDH1A1KMT2AHTTMEN1POLB
SCHEMBL28627481 0.80 ALDH1A1 (0.62) ALDH1A1KMT2AHTTMEN1CYP1A2
SCHEMBL7811077 0.80 ALDH1A1 (0.62) ALDH1A1KMT2AHTTMEN1CYP1A2
Ammonia Solution, Strong SCHEMBL4261771 0.80
Phosphine SCHEMBL22129226 0.80
Hydrochloric Acid SCHEMBL29138708 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919552-A Coated substrates and methods XEROX CORPORATION (US) 1999-07-06 US claimed