SCHEMBL2854847

SCHEMBL2854847

O=C(NCc1ccc(F)cc1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
SMO Q99835 2/20 0.45
DDR1 Q08345 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
DDR2 Q16832 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MAP3K20 Q9NYL2 1/20 0.45
MAP3K2 Q9Y2U5 1/20 0.45
MAPK1 P28482 2/20 0.44
P2RX7 Q99572 1/20 0.44
CCR1 P32246 2/20 0.43
HPGD P15428 1/20 0.42
FAAH O00519 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2854804 0.96 MAPK1 (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2861243 0.93 KDM4E (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2852454 0.92 KDM4E (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2857598 0.91 KMT2A (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2859091 0.91 CCR1 (0.46) SMOMAPK1P2RX7CCR1
SCHEMBL2856356 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2855710 0.90 LMNA (0.46) MAPTPOLBSMOMAPK1P2RX7
SCHEMBL2850425 0.90 P2RX7 (0.49) MAPTPOLBSMOMAPK1P2RX7
SCHEMBL2856562 0.90 MAPT (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2858589 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2POLB

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed