SCHEMBL6989260

SCHEMBL6989260

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
AR P10275 2/20 0.38
HTT P42858 2/20 0.38
CES2 O00748 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TBXA2R P21731 1/20 0.38
AADAC P22760 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR6 P50406 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
SCHEMBL6989256 0.77 ALDH1A1 (0.46) ALDH1A1ARHTTCES2ABCB11
SCHEMBL16174698 0.76 MAPT (0.40) ALDH1A1ARHTTCES2ABCB11
SCHEMBL8407371 0.73 ALDH1A1 (0.50) ALDH1A1ARHTTCES2ABCB11
SCHEMBL26097943 0.70 ALDH1A1 (0.57) ALDH1A1HTTLMNACYP1A2CYP3A4
SCHEMBL26097939 0.70 ALDH1A1 (0.57) ALDH1A1HTTLMNACYP1A2CYP3A4
SCHEMBL5579250 0.68 ALDH1A1 (0.40) ALDH1A1ARHTTCES2ABCB11
SCHEMBL5303809 0.68 KMT2A (0.57) ALDH1A1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL27676029 0.68 KMT2A (0.57) ALDH1A1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL1637175 0.66 MAPT (0.52) ALDH1A1HTTLMNACYP2C9CYP2C19
SCHEMBL8895665 0.66 KMT2A (0.51) ALDH1A1HTTLMNASMN1; SMN2KMT2A

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