SCHEMBL9833261

SCHEMBL9833261

N#CC(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)c1nn(-c2ccccc2)c2c1COc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
MAPT P10636 6/20 0.42
POLB P06746 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNJ6 P48051 4/20 0.42
KCNJ5 P48544 4/20 0.42
KCNJ3 P48549 4/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 3/20 0.39
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 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
SCHEMBL9833151 0.95 IDO1 (0.40) IDO1MAPTPOLBMEN1ALDH1A1
SCHEMBL9831794 0.91 PTGS1 (0.42) MAPTPOLBMEN1KMT2AKCNJ6
SCHEMBL9831545 0.90 RIPK1 (0.41) MAPTPOLBALDH1A1KDM4EKCNJ6
SCHEMBL9316748 0.90 MAPT (0.44) MAPTPOLBALDH1A1KDM4EPTGS1
SCHEMBL9832438 0.88 MAPT (0.45) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL9176651 0.88 IDO1 (0.47) IDO1MAPTPOLBMEN1ALDH1A1
SCHEMBL9833141 0.88 KCNJ6 (0.41) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL9833803 0.87 RAB9A (0.42) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL9834929 0.87 CCNA2 (0.41) MAPTPOLBALDH1A1KCNJ6KCNJ5
SCHEMBL9319611 0.86 MAPT (0.43) MAPTPOLBALDH1A1KDM4EGAA

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-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP disclosed
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed