SCHEMBL9701481

SCHEMBL9701481

Cc1ccc([N+](=O)[O-])cc1OC(C)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
TSHR P16473 3/20 0.53
CYP3A4 P08684 3/20 0.49
HTT P42858 1/20 0.46
CYP19A1 P11511 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.42
BLM P54132 1/20 0.42
PDE1B Q01064 1/20 0.42
PMP22 Q01453 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42

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
SCHEMBL9699062 0.87 CYP19A1 (0.58) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL28343070 0.83 HTT (0.57) ALDH1A1TDP1CYP3A4HTTCYP19A1
SCHEMBL7819868 0.82 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL29739648 0.82 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL27901551 0.81 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL11728148 0.79 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL6016538 0.79 TSHR (0.47) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL265440 0.78 HTT (0.68) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL7386900 0.77 ALDH1A1 (0.51) ALDH1A1TDP1TSHRSMN1; SMN2LMNA
SCHEMBL19906386 0.76 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4HTT

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-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed