SCHEMBL9717632

SCHEMBL9717632

CC(=O)Oc1ccc(C=C(C)[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.59
MAPT P10636 5/20 0.57
LMNA P02545 5/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
KMT2A Q03164 2/20 0.57
JAK2 O60674 1/20 0.57
MITF O75030 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
NTSR1 P30989 1/20 0.57
CYP2C19 P33261 1/20 0.57
EGFR P00533 3/20 0.53
ABL1 P00519 1/20 0.53
ABL2 P42684 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TTR P02766 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL28593122 0.87 FBP1 (0.56) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL10772748 0.84 FBP1 (0.65) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL9717629 0.84 FBP1 (0.56) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL9717631 0.84 FBP1 (0.56) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL9657482 0.83 FBP1 (0.62) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL9656291 0.83 FBP1 (0.62) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL28898306 0.80 FBP1 (0.59) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL10839774 0.79 FBP1 (0.57) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL10839779 0.79 FBP1 (0.57) FBP1MAPTLMNAALDH1A1MEN1
SCHEMBL9717619 0.78 FBP1 (0.57) FBP1MAPTLMNAALDH1A1MEN1

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-0240256-B1 COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA MERCK & CO. INC. (US) 1992-04-29 EP disclosed
EP-0240256-A2 Compounds useful in treating sickle cell anemia MERCK & CO. INC. (US) 1987-10-07 EP disclosed