SCHEMBL10840243

SCHEMBL10840243

O=[N+]([O-])c1cccc(CCOc2[c]cccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP19A1 P11511 6/20 0.43
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL11245398 0.86 MAOB (0.51) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL13812981 0.79 MEN1 (0.55) TSHRSIGMAR1CYP19A1CYP11B1CYP11B2
SCHEMBL10840250 0.78 TSHR (0.49) TSHRSIGMAR1CYP19A1CYP11B1CYP11B2
SCHEMBL2452382 0.76 NPC1 (0.46) CYP11B1CYP11B2ALDH1A1MAOAMAOB
SCHEMBL10956755 0.76 SIGMAR1 (0.54) TSHRSIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL6674437 0.75 TSHR (0.59) TSHRSIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL18165912 0.74 TSHR (0.57) TSHRSIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL1520674 0.74 TSHR (0.57) TSHRSIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL10840699 0.73 ALDH1A1 (0.48) TSHRMEN1ALDH1A1KMT2AMAPT
SCHEMBL7867611 0.73 IDO1 (0.50) HTR1AADRA1DADRA1AADRA1BMEN1

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
US-4578107-A Herbicidal imidazolidine-2-one derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-03-25 US disclosed