SCHEMBL8469273

SCHEMBL8469273

O=[N+]([O-])c1cc2ocnc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.47
ALDH1A1 P00352 9/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
CTSB P07858 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 5/20 0.43
TSHR P16473 1/20 0.41
PIN1 Q13526 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HSP90AA1 P07900 2/20 0.40
OPRK1 P41145 2/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL4639864 0.75 HPRT1 (0.47) HPRT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11789692 0.75 CYP1A2 (0.38) MEN1KMT2AKDM4EL3MBTL1TDP1
SCHEMBL4335935 0.73 PIN1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9197102 0.71 ACVR1 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9194844 0.71 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9952704 0.71 ERN1 (0.38) ALDH1A1MAPTMEN1KMT2ACTSB
Ethane SCHEMBL4317962 0.71 PIN1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9190781 0.71 ATM (0.38) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL6245129 0.69 HPRT1 (0.78) HPRT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11590947 0.69 LMNA (0.42) ALDH1A1MAPTMEN1KMT2AGAA

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-4889796-A CONTAINING BENZOXAZOLE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1989-12-26 US claimed
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US disclosed