SCHEMBL9243744

SCHEMBL9243744

Cc1ccc(C(=O)O)c(N(C)c2ccc(-c3ccccc3C#N)cc2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.37
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
PTPN5 P54829 1/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
HPRT1 P00492 1/20 0.33
XDH P47989 1/20 0.33
BRS3 P32247 1/20 0.33
EIF4E P06730 1/20 0.33

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
SCHEMBL7766012 0.78 PTPN1 (0.41) FFAR1AKR1B1EGLN1OXTRAVPR1A
SCHEMBL9243751 0.77 BDKRB1 (0.46) GRIA2GRIA4ALDH1A1CYP3A4TSHR
SCHEMBL2598199 0.73 ALDH1A1 (0.40) ESR2SMN1; SMN2ALDH1A1TSHROXTR
SCHEMBL8417432 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL2873565 0.71 ALDH1A1 (0.38) ESR2SMN1; SMN2ALDH1A1XDH
SCHEMBL14886786 0.70 MCL1 (0.49) ESR2GRIA2GRIA4PTPN5OXTR
SCHEMBL8566925 0.69 ESR2 (0.36) ESR2GRIA2GRIA4ALDH1A1CYP3A4
SCHEMBL7835151 0.67 CES2 (0.47) ESR2GRIA2GRIA4NPC1RAB9A
SCHEMBL9239165 0.67 TSHR (0.51) ALDH1A1TSHREIF4E
SCHEMBL6564670 0.66 TSHR (0.45) ALDH1A1CYP3A4TSHRXDH

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
JP-7188148-A None JP disclosed
JP-H07188148-A PRODUCTION OF AMINOBENZOATE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1995-07-25 JP disclosed