SCHEMBL3624951

SCHEMBL3624951

C=Cc1cccc2cc3cc4c(OC(C)I)cccc4cc3cc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3628368 0.81 NQO1 (0.46) MEN1MITFALDH1A1CYP1A2MAPT
SCHEMBL3623450 0.77 NQO1 (0.48) MEN1MITFALDH1A1CYP1A2MAPT
SCHEMBL3627101 0.77 MEN1 (0.36) MEN1MITFALDH1A1CYP1A2MAPT
SCHEMBL3627097 0.75 KMT2A (0.41) MEN1MITFALDH1A1CYP1A2MAPT
SCHEMBL2701544 0.75 ALDH1A1 (0.53) MEN1MITFALDH1A1CYP1A2MAPT
SCHEMBL1167375 0.75 ALDH1A1 (0.53) MEN1MITFALDH1A1CYP1A2MAPT
SCHEMBL3628798 0.74 CYP2A6 (0.38) MEN1MITFALDH1A1CYP1A2MAPT
SCHEMBL27113 0.73 ALDH1A1 (0.54) MEN1MITFALDH1A1CYP1A2MAPT
Anthracene SCHEMBL28971423 0.73 ALDH1A1 (0.54) MEN1MITFALDH1A1CYP1A2MAPT
SCHEMBL29891468 0.73 ALDH1A1 (0.54) MEN1MITFALDH1A1CYP1A2MAPT

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-20100003574-A1 Separation Membrane for Direct Liquid Fuel Cell and Method for Producing Same TOKUYAMA CORPORATION (JP) 2010-01-07 US disclosed