SCHEMBL2855462

SCHEMBL2855462

COC(=O)C(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
CCR1 P32246 4/20 0.50
ACHE P22303 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TRPC3 Q13507 2/20 0.47
TRPC1 P48995 1/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
STIM2 Q9P246 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR6 P46095 1/20 0.43
HSD11B1 P28845 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL2856793 0.82 KDM4E (0.53) MAPTCCR1ALDH1A1KDM4ETRPC3
SCHEMBL2852931 0.81 KDM4E (0.57) MAPTCCR1ACHEALDH1A1KDM4E
SCHEMBL2855128 0.80 TRPC3 (0.56) MAPTCCR1ACHEALDH1A1KDM4E
SCHEMBL28696410 0.79 ALDH1A1 (0.76) MAPTCCR1ACHEALDH1A1KDM4E
SCHEMBL2854612 0.79 CCR1 (0.53) MAPTCCR1ALDH1A1KDM4ETRPC3
SCHEMBL2852992 0.79 CCR1 (0.53) MAPTCCR1ACHEALDH1A1KDM4E
SCHEMBL10365015 0.78 TRPC3 (0.70) MAPTCCR1ACHEALDH1A1KDM4E
SCHEMBL10365407 0.78 ALDH1A1 (0.70) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL13513682 0.77 MAPT (0.57) MAPTCCR1ACHEALDH1A1KDM4E
SCHEMBL4883305 0.77 MAPT (0.57) MAPTCCR1ACHEALDH1A1KDM4E

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 disclosed