SCHEMBL20592017

SCHEMBL20592017

C#Cc1ccc(C(=O)Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TTR P02766 1/20 0.46
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
ALOX5 P09917 2/20 0.41
PTGES O14684 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL3150116 0.84 MAPT (0.63) MAPTCYP1A2CYP2C9TTRALDH1A1
SCHEMBL527543 0.84 MAPT (0.71) MAPTCYP1A2CYP2C9TTRALDH1A1
SCHEMBL30727558 0.84 MAPT (0.71) MAPTCYP1A2CYP2C9TTRALDH1A1
SCHEMBL20591969 0.83 HGFAC (0.50) MAPTTTRALDH1A1KMT2AMEN1
SCHEMBL19439042 0.81 MAPT (0.60) MAPTCYP1A2CYP2C9TTRALDH1A1
SCHEMBL16335592 0.81 MAPT (0.60) MAPTCYP1A2CYP2C9TTRALDH1A1
SCHEMBL4071946 0.81 MAPT (0.60) MAPTCYP1A2CYP2C9TTRALDH1A1
SCHEMBL19543189 0.80 MAPT (0.59) MAPTCYP1A2CYP2C9TTRALDH1A1
Guanidine SCHEMBL1486812 0.78 MAPT (0.68) MAPTCYP1A2CYP2C9TTRALDH1A1
SCHEMBL17165000 0.78 MAPT (0.68) MAPTCYP1A2CYP2C9TTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210255193-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2021-08-19 US disclosed
EP-3642630-A1 LYSINE REACTIVE PROBES AND USES THEREOF The Scripps Research Institute (US) 2020-04-29 EP disclosed
WO-2018237334-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2018-12-27 WO disclosed
US-20180372751-A1 LYSINE REACTIVE PROBES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-12-27 US disclosed