SCHEMBL4058283

SCHEMBL4058283

COc1ccc(CC#N)c2c3cc([N+](=O)[O-])ccc3n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
F2RL3 Q96RI0 5/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
F2R P25116 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G4A P47712 1/20 0.38
LTB4R Q15722 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CRHBP P24387 1/20 0.37

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
SCHEMBL4055213 0.86 MAPT (0.48) MAPTF2RL3ALDH1A1TDP1MEN1
SCHEMBL4053668 0.82 KDM4E (0.39) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL4062570 0.78 ESRRA (0.37) MAPT
SCHEMBL4541903 0.78 MYLK (0.40) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL4030576 0.77 ALDH1A1 (0.47) MAPTF2RL3ALDH1A1TDP1MEN1
SCHEMBL2191809 0.76 TDP1 (0.54) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL2813500 0.76 HTT (0.55) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL4026837 0.76 MAPT (0.45) MAPTF2RL3ALDH1A1TDP1MEN1
SCHEMBL4053047 0.75 ALDH1A1 (0.39) MAPTF2RL3ALDH1A1MEN1KMT2A
SCHEMBL10577625 0.72 CDK2 (0.46) MAPTF2RL3ALDH1A1MEN1KMT2A

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
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed