SCHEMBL9749017

SCHEMBL9749017

CN(C)CCOC(=O)c1ccc2nn(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.40
POLB P06746 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
DRD4 P21917 1/20 0.35
ACHE P22303 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 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
SCHEMBL13700658 0.89 MEN1 (0.34) TDP1MEN1KMT2ALMNARAB9A
SCHEMBL1547141 0.80 RXRA (0.40) TDP1MAPTLMNA
SCHEMBL11077606 0.79 ALOX5 (0.37) POLBTDP1MAPTMEN1KMT2A
SCHEMBL28348260 0.76 ESR1 (0.42) MAPTALDH1A1RAB9A
SCHEMBL30313741 0.76 ESR1 (0.42) MAPTALDH1A1RAB9A
SCHEMBL712969 0.75 NPC1 (0.38) POLBTDP1MAPTALDH1A1GAA
SCHEMBL29706577 0.75 NPC1 (0.38) POLBTDP1MAPTALDH1A1GAA
SCHEMBL21956096 0.75 ESR1 (0.42) MAPTALDH1A1RAB9A
SCHEMBL13700448 0.74 CYP4F2 (0.38) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL21956090 0.74 CA1 (0.35) POLBTDP1MAPTALDH1A1KDM4E

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-5096781-A Amine salts or quaternized compounds of 2,4-diphenyl-6-/2-/hydroxyphenyl/-s-triazine derivatives; color- and washfast inks for jet printing and recording CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed