SCHEMBL3220409

SCHEMBL3220409

Cc1cc(C(C)(C)C)cc(C)c1Nc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 9/20 0.50
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1D P28221 2/20 0.41
HTR1B P28222 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NR4A1 P22736 1/20 0.40

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
SCHEMBL14981045 0.90 RAPGEF4 (0.59) RAPGEF4POLBALDH1A1HTR1DHTR1B
SCHEMBL22051001 0.86 RAPGEF4 (0.55) RAPGEF4POLBALDH1A1HTR1DHTR1B
SCHEMBL20404366 0.85 RAPGEF4 (0.70) RAPGEF4MAPTMEN1KMT2AHTR1D
SCHEMBL6711280 0.82 RAPGEF4 (0.73) RAPGEF4
SCHEMBL25059980 0.81 MAPT (0.48) RAPGEF4POLBALDH1A1MAPTCYP1A2
SCHEMBL15312216 0.81 RAPGEF4 (0.49) RAPGEF4ALDH1A1MAPTMEN1KMT2A
SCHEMBL24084610 0.81 RAPGEF4 (0.46) RAPGEF4ALDH1A1HTR1DHTR1BHPGD
SCHEMBL17858124 0.79 RAPGEF4 (0.68) RAPGEF4
SCHEMBL27714972 0.78 MAPT (0.58) POLBALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL17835019 0.77 RAPGEF4 (0.57) RAPGEF4POLBHTR1DHTR1BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN disclosed
US-20100066237-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20040109955-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-06-10 US disclosed
EP-1394188-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-03 EP disclosed