SCHEMBL22876500

SCHEMBL22876500

C/C=C\C=C(/C)N(c1ccccc1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 3/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
CRHBP P24387 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL20019074 0.95 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL21029199 0.93 NPSR1 (0.40) ALDH1A1L3MBTL1MAPTTDP1NPSR1
SCHEMBL21972804 0.89 MAPT (0.34) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL23656346 0.89 PTGIR (0.34) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL19285906 0.84 ALDH1A1 (0.35) ALDH1A1L3MBTL1NPSR1KMT2AMEN1
SCHEMBL20019111 0.83 NPSR1 (0.31) NPSR1TRPM8KMT2AMEN1TSHR
SCHEMBL21004196 0.82 CYP3A4 (0.36) ALDH1A1CYP3A4TRPM8KMT2AMEN1
SCHEMBL13780637 0.82 SIGMAR1 (0.42) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL20436369 0.81 TRPM8 (0.32) TRPM8
SCHEMBL10065968 0.80 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915966-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME Samsung Display Co., Ltd. (KR) 2021-12-01 EP disclosed
EP-3671884-B1 ORGANIC LIGHT-EMITTING DEVICE AND DISPLAY APPARATUS COMPRISING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2021-01-06 EP disclosed