SCHEMBL6989256

SCHEMBL6989256

CC(C)[C@H](Nc1ccc([N+](=O)[O-])c(F)c1[N+](=O)[O-])C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
HCAR3 P49019 5/20 0.40
KMT2A Q03164 1/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
LMNA P02545 2/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TBXA2R P21731 1/20 0.33
AADAC P22760 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
SCHEMBL6989260 0.77 ALDH1A1 (0.38) ALDH1A1MAPTHCAR3KMT2ALMNA
SCHEMBL2700060 0.76 ALDH1A1 (0.48) ALDH1A1MAPTHCAR3KMT2ALMNA
SCHEMBL20958028 0.76 ALDH1A1 (0.48) ALDH1A1MAPTHCAR3KMT2ALMNA
SCHEMBL21628089 0.75 ALDH1A1 (0.47) ALDH1A1MAPTHCAR3KMT2ALMNA
SCHEMBL26668858 0.72 KMT2A (0.42) ALDH1A1MAPTHCAR3KMT2ALMNA
SCHEMBL1653885 0.69 ALDH1A1 (0.55) ALDH1A1MAPTHCAR3LMNAGLA
SCHEMBL27712481 0.68 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ALMNAGLA
SCHEMBL31607282 0.68 TSHR (0.39) ALDH1A1MAPTHCAR3KMT2ATSHR
SCHEMBL31607280 0.68 TSHR (0.39) ALDH1A1MAPTHCAR3KMT2ATSHR
SCHEMBL31677525 0.68 TSHR (0.39) ALDH1A1MAPTHCAR3KMT2ATSHR

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
EP-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed