SCHEMBL2859644

SCHEMBL2859644

Cc1ccc(CCNC(=O)Oc2cnn(-c3ccccc3)c2C(F)(F)F)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.38
DDR1 Q08345 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
DDR2 Q16832 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
MAP3K2 Q9Y2U5 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL2855711 0.92 P2RX7 (0.42) KDM4EMAPTCES2NPSR1MAPK14
SCHEMBL2857600 0.91 CNR1 (0.46) MAPTNPSR1TP53GAACCR1
SCHEMBL2854509 0.88 KDM4E (0.50) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2850868 0.88 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL2852955 0.88 KDM4E (0.44) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2859726 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2860826 0.87 KDM4E (0.43) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2856562 0.86 MAPT (0.48) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2860110 0.86 KDM4E (0.47) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2857230 0.86 KDM4E (0.44) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2

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