SCHEMBL10747322

SCHEMBL10747322

COc1cc(-n2[se]c3ccccc3c2=S)c2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.41
▸ METAP2 P50579 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39

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
SCHEMBL5916769 0.86 METAP2 (0.57) METAP2
SCHEMBL10748809 0.80 CYP3A4 (0.46) CYP1A2METAP2KDM4EMAPTTDP1
SCHEMBL10500974 0.78 METAP2 (0.54) METAP2KMT2AKDM4EMAPT
SCHEMBL10502310 0.76 METAP2 (0.52) METAP2MEN1KMT2AKDM4EMAPT
SCHEMBL10501283 0.73 METAP2 (0.68) METAP2MEN1KMT2AMAPT
SCHEMBL10501743 0.73 METAP2 (0.54) METAP2KMT2AKDM4EMAPT
SCHEMBL10501336 0.71 METAP2 (0.50) METAP2MEN1KMT2AKDM4EMAPT
SCHEMBL10501640 0.71 METAP2 (0.37) METAP2MEN1KMT2AKDM4EMAPT
SCHEMBL10502111 0.70 METAP2 (0.68) METAP2MEN1KMT2AKDM4EMAPT
SCHEMBL10748399 0.70 CYP3A4 (0.39) METAP2KMT2AKDM4EMAPTPOLB

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
US-4711961-A Benzisoselenazolethiones and process for the treatment of various diseases in humans A. NATTERMANN & CIE GMBH (DE) 1987-12-08 — — US disclosed
Send feedback