SCHEMBL2860131

SCHEMBL2860131

Cc1ccccc1CCNC(=O)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC2A1 P11166 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
TP53 P04637 1/20 0.37
DGAT2 Q96PD7 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
SCHEMBL2856750 0.93 P2RX7 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2854517 0.92 MAPT (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2857274 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2854716 0.89 MTNR1A (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2857936 0.89 KDM4E (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2856697 0.88 KDM4E (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2861634 0.86 RAB9A (0.44) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL2854509 0.86 KDM4E (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2859644 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2859726 0.84 ALDH1A1 (0.46) 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