SCHEMBL9876597

SCHEMBL9876597

CCCCCCCCCCCCCCCCCCNC(=O)c1c(C)ccc(-n2oc(C(C)(C)C)c(COc3ccc(NC(=O)OC(C)(C)C)cc3)c2=O)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
MGLL Q99685 1/20 0.34
HDAC8 Q9BY41 5/20 0.33
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC4 P56524 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9877541 0.82 ALDH1A1 (0.38) MAPTKDM4EMGLLALDH1A1LMNA
SCHEMBL9876594 0.81 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2CD274
SCHEMBL9876485 0.80 LMNA (0.37) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9864700 0.74 ALDH1A1 (0.48) MAPTHDAC1ALDH1A1LMNASMN1; SMN2
SCHEMBL9876532 0.73 ALDH1A1 (0.39) MAPTMGLLALDH1A1LMNASMN1; SMN2
SCHEMBL6758311 0.64 FAAH (0.66)
SCHEMBL29022674 0.64 FAAH (0.66)
SCHEMBL3335259 0.63 FAAH (0.62)
SCHEMBL2218946 0.60 MAPT (0.65) MAPTCA12CA1CA2CA9
SCHEMBL13306489 0.59 CA1 (0.66) NPSR1CA12CA1CA2CA9

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-5049477-A Image forming, etching, plating FUJI PHOTO FILM CO., LTD. (JP) 1991-09-17 US disclosed