SCHEMBL13658643

SCHEMBL13658643

Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c7ccccc67)c6ccccc56)c5ccccc45)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.40
GPR84 Q9NQS5 1/20 0.35
ACHE P22303 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPRT1 P00492 1/20 0.34
CRHR1 P34998 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ENPP1 P22413 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL13658640 0.98 COMT (0.41) COMTGPR84ACHEMEN1KMT2A
SCHEMBL25623992 0.84 CYP1A2 (0.46) COMTGPR84MEN1KMT2ANPC1
SCHEMBL12774511 0.84 HPRT1 (0.40) GPR84ACHEMEN1KMT2ANPC1
SCHEMBL20637767 0.83 ACHE (0.47) COMTGPR84ACHEMEN1KMT2A
SCHEMBL1262728 0.83 ACHE (0.47) ACHEMEN1KMT2AALDH1A1MAPT
SCHEMBL401706 0.83 CYP1A2 (0.42) COMTGPR84ACHEMEN1KMT2A
SCHEMBL10041934 0.83 CYP1A2 (0.42) COMTGPR84ACHEMEN1KMT2A
SCHEMBL13658639 0.82 COMT (0.33) COMTGPR84ACHEALDH1A1MAPT
SCHEMBL12774536 0.82 HPRT1 (0.40) GPR84ACHEMEN1KMT2ANPC1
SCHEMBL14160409 0.82 ACHE (0.47) ACHEMEN1KMT2ANPC1RAB9A

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
US-20090261711-A1 ASYMMETRIC FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-10-22 US disclosed
US-20090261711-A1 ASYMMETRIC FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-10-22 US disclosed
US-20090058270-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-05 US disclosed
US-20090058270-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-05 US disclosed