SCHEMBL10696366

SCHEMBL10696366

CCOC(=O)C(C)Oc1nc(Oc2c(F)cc(C(F)(F)F)c(F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 5/20 0.34
AR P10275 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
CES2 O00748 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TBXA2R P21731 1/20 0.34
AADAC P22760 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL10696298 0.87 ALDH1A1 (0.34) RAB9AALDH1A1ARTSHRLMNA
SCHEMBL10697439 0.82 MEN1 (0.38) ALDH1A1TSHRLMNACYP1A2CYP3A4
SCHEMBL11007482 0.77 MEN1 (0.48) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL10696569 0.74 MEN1 (0.36) ALDH1A1TSHRLMNASMN1; SMN2CYP1A2
SCHEMBL10697964 0.72 KDM4E (0.40) RAB9AALDH1A1ARLMNAMAPK1
SCHEMBL11010421 0.71 MERTK (0.48) RAB9AALDH1A1TSHRLMNAMAPK1
SCHEMBL30806808 0.71 MERTK (0.48) RAB9AALDH1A1TSHRLMNAMAPK1
SCHEMBL28082084 0.71 L3MBTL1 (0.41) RAB9AALDH1A1TSHRLMNACES2
SCHEMBL28082082 0.71 L3MBTL1 (0.41) RAB9AALDH1A1TSHRLMNACES2
SCHEMBL10699015 0.70 TDP1 (0.42) RAB9AALDH1A1ARTSHRLMNA

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-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed