SCHEMBL13936664

SCHEMBL13936664

CC(C)Nc1ccc(Cl)cc1CN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
LIN28A Q9H9Z2 1/20 0.44
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 2/20 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
SCHEMBL13955268 0.86 TDP1 (0.47) TDP1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL13936666 0.85 MAPT (0.50) TDP1CYP2C19CYP1A2SMN1; SMN2MAPT
SCHEMBL13936660 0.85 MAPT (0.44) TDP1SMN1; SMN2MAPTLIN28AALDH1A1
SCHEMBL13936661 0.85 MAPT (0.44) TDP1CYP2C19CYP1A2KCNH2SMN1; SMN2
SCHEMBL13936663 0.85 MAPT (0.44) TDP1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL13936668 0.83 TSHR (0.45) TDP1SMN1; SMN2MAPTLIN28ARAB9A
SCHEMBL5052519 0.79 TDP1 (0.51) TDP1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL13936671 0.75 MAPT (0.46) TDP1CYP2C19KCNH2SMN1; SMN2MAPT
SCHEMBL31171955 0.74 MAPT (0.61) TDP1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL31171947 0.74 MAPT (0.61) TDP1CYP2C19CYP1A2CYP3A4CYP2D6

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
US-7488820-B2 Naphthofluorescein-based metal sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-10 US disclosed
US-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed
US-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed