SCHEMBL27362998

SCHEMBL27362998

CCOC(=O)c1c(C(=O)OC)ccc([N+](=O)[O-])c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.44
USP10 Q14694 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PRKCZ Q05513 1/20 0.44
MAPT P10636 6/20 0.43
RAB9A P51151 2/20 0.43
PTGER4 P35408 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL15808259 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL940019 0.81 PRKCZ (0.45) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL2930841 0.79 CACNA1C (0.48) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL5467919 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL27750330 0.76 TSHR (0.49) ALDH1A1SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL4728649 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL2932351 0.75 POLB (0.51) ALDH1A1SMN1; SMN2POLBKMT2AGAA
SCHEMBL11525725 0.75 GAA (0.45) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL3369777 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL24558172 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAPOLBGALR2

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
CN-1060841-A Quinazoline derivant and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1992-05-06 CN disclosed