SCHEMBL2203209

SCHEMBL2203209

O=C(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.46
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IGFBP3 P17936 1/20 0.40
CNR2 P34972 12/20 0.39
CNR1 P21554 7/20 0.39
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL3747991 0.85 NSD2 (0.44) MEN1MAPTKMT2AALDH1A1
SCHEMBL5682164 0.83 CYP11B1 (0.43) KMT2ACYP1A2
SCHEMBL3780260 0.82 NR2E1 (0.38) CYP1A2
SCHEMBL12510626 0.81 SIRT2 (0.36) MEN1KMT2AHTTTDP1CYP1A2
SCHEMBL28146943 0.80 SIRT2 (0.36) MEN1KMT2AHTTTDP1CYP1A2
SCHEMBL1479176 0.79 NAPRT (0.47) MEN1KMT2ATDP1ALDH1A1CYP1A2
SCHEMBL7641514 0.79 P2RX7 (0.40) KMT2A
SCHEMBL670904 0.77 CYP11B1 (0.43) TDP1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL3751804 0.77 KDM4E (0.38) MEN1MAPTKMT2AHTTNPSR1
SCHEMBL4824432 0.77 KDM4E (0.44) MEN1MAPTKMT2AHTTTDP1

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
EP-2079706-B1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS GRINDEKS JSC (LV) 2011-07-20 EP disclosed