SCHEMBL7206952

SCHEMBL7206952

C#CCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.61
TSHR P16473 4/20 0.61
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
ACHE P22303 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL190366 0.84 TSHR (0.62) PYCR1TSHRLMNACYP1A2CYP2D6
SCHEMBL347820 0.82 TSHR (0.61) PYCR1TSHRLMNACYP1A2CYP2D6
SCHEMBL8713184 0.81 TSHR (0.69) PYCR1TSHRLMNACYP1A2CYP2D6
SCHEMBL7934234 0.79 TSHR (0.57) PYCR1TSHRLMNACYP1A2CYP2D6
SCHEMBL1978577 0.79 PYCR1 (0.55) PYCR1TSHRLMNACYP1A2CYP2D6
SCHEMBL10918542 0.79 TSHR (0.71) PYCR1TSHRLMNACYP1A2CYP2D6
SCHEMBL94845 0.77 TSHR (0.69) PYCR1TSHRLMNACYP1A2CYP2D6
SCHEMBL12415808 0.77 PYCR1 (0.57) PYCR1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4521415 0.77 PYCR1 (0.57) PYCR1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL9350384 0.76 MEN1 (0.41) PYCR1TSHRLMNACYP1A2CYP2D6

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-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP claimed