SCHEMBL8817865

SCHEMBL8817865

CCOC(=O)c1ccc(N(C(=O)O)c2ccccc2C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
AR P10275 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL8817861 0.84 ALDH1A1 (0.44) L3MBTL1ARSMN1; SMN2ALDH1A1LMNA
SCHEMBL7371681 0.78 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1LMNAGALR2
SCHEMBL7119418 0.75 AR (0.49) L3MBTL1ARSMN1; SMN2ALDH1A1LMNA
SCHEMBL16529634 0.73 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAGALR2MITF
SCHEMBL10737968 0.73 MEN1 (0.57) L3MBTL1HSP90AA1MAPTKMT2AMEN1
SCHEMBL1523174 0.73 ALDH1A1 (0.67) L3MBTL1SMN1; SMN2ALDH1A1LMNAGALR2
SCHEMBL6422578 0.72 KMT2A (0.65) SMN1; SMN2ALDH1A1LMNAGALR2MITF
SCHEMBL2126420 0.72 CA12 (0.62) SMN1; SMN2ALDH1A1LMNAGALR2MITF
SCHEMBL6750268 0.72 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1LMNAGALR2MITF
Hydrochloric Acid SCHEMBL11776974 0.71 TSHR (0.57) SMN1; SMN2ALDH1A1LMNAGALR2MITF

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-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed