SCHEMBL8537743

SCHEMBL8537743

Nc1cc2ccccc2cc1Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.58
GAA P10253 10/20 0.58
KDM4E B2RXH2 9/20 0.58
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
HPGD P15428 5/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 11/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
GFER P55789 4/20 0.55
NGLY1 Q96IV0 1/20 0.55
HSD17B10 Q99714 6/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
THRB P10828 1/20 0.51
CYP3A4 P08684 3/20 0.50

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
SCHEMBL5604998 0.94 MAPT (0.59) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL5605306 0.94 MAPT (0.59) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL5604588 0.92 MAPT (0.58) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL5605277 0.92 MAPT (0.58) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL5084625 0.87 MAPT (0.67) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL5080900 0.85 MAPT (0.64) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL3766360 0.84 MAPT (0.64) MAPTGAAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9797327 0.83 MAPT (0.61) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL22142729 0.82 MAPK14 (0.42) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL22102775 0.78 MAPT (0.65) MAPTGAAKDM4EMEN1KMT2A

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
US-20210328149-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-10-21 US disclosed
US-5776931-A TREATING PHYSIOLOGICAL DISORDER ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y ELI LILLY AND COMPANY (US) 1998-07-07 US disclosed