SCHEMBL2304097

SCHEMBL2304097

O=C(O)CC(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.53
PIN1 Q13526 6/20 0.42
KDM4E B2RXH2 1/20 0.40
CTNNB1 P35222 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 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
Hydrochloric Acid SCHEMBL657754 0.99 PRKCZ (0.52) PRKCZPIN1KDM4ECTNNB1HDAC3
SCHEMBL10286932 0.92 PRKCZ (0.60) PRKCZPIN1
SCHEMBL2301098 0.87 PRKCZ (0.52) PRKCZPIN1KDM4E
Hydrochloric Acid SCHEMBL657402 0.86 PRKCZ (0.51) PRKCZPIN1KDM4E
SCHEMBL2304106 0.86 PRKCZ (0.63) PRKCZKDM4E
SCHEMBL10252791 0.85 PRKCZ (0.62) PRKCZPIN1KDM4EHDAC3HDAC4
SCHEMBL2305249 0.85 PRKCZ (0.59) PRKCZPIN1KDM4ETP53MAPT
Hydrochloric Acid SCHEMBL657836 0.85 PRKCZ (0.62) PRKCZKDM4E
SCHEMBL2303594 0.85 PRKCZ (0.64) PRKCZPIN1KDM4E
SCHEMBL2301731 0.85 PRKCZ (0.62) PRKCZPIN1KDM4E

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-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed