SCHEMBL9239391

SCHEMBL9239391

CCOC(=O)C(C1c2ccccc2Oc2ccccc21)[N+](=O)[O-].OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 2/20 0.38
CHRM2 P08172 2/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM1 P11229 2/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL9245497 0.95 POLB (0.47) POLBTSHRKDM4EATMKMT2A
SCHEMBL9244809 0.79 RET (0.38) TSHRKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL9246204 0.78 BCHE (0.43) POLBTSHRKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL9243761 0.77 BCHE (0.42) POLBTSHRKDM4EKMT2AMEN1
SCHEMBL28430986 0.76 POLB (0.53) POLBTSHRKDM4EATMKMT2A
Urethane SCHEMBL28839463 0.75 MAOA (0.58) MAOAMAOBPOLBTSHRKDM4E
SCHEMBL9545140 0.74 POLB (0.51) POLBTSHRKDM4EATMKMT2A
SCHEMBL5552878 0.73 POLB (0.50) POLBTSHRKDM4EATMKMT2A
Hydrochloric Acid SCHEMBL9241189 0.73 POLB (0.50) POLBTSHRKDM4EATMKMT2A
SCHEMBL28431266 0.70 SMN1; SMN2 (0.47) POLBTSHRKDM4EATMKMT2A

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-0637305-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1995-02-08 EP disclosed