SCHEMBL2850806

SCHEMBL2850806

CCS(=O)(=O)c1ccc(OC)c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
CNR1 P21554 2/20 0.42
GPR55 Q9Y2T6 2/20 0.42
GPR35 Q9HC97 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KCNT1 Q5JUK3 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PSMD14 O00487 1/20 0.39
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2856759 0.83 ACLY (0.44) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2860822 0.82 MAPT (0.45) MAPTMAPK14
SCHEMBL2859712 0.81 CA1 (0.45) MAPTSMN1; SMN2
SCHEMBL2850834 0.79 NTRK1 (0.45) MAPTSMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL2859374 0.78 MAPT (0.52) MAPTSMN1; SMN2
SCHEMBL2850809 0.78 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL2850337 0.78 MAPT (0.40) MAPTGAASMN1; SMN2ALDH1A1TSHR
SCHEMBL2854533 0.78 MEN1 (0.46) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL2853465 0.77 RAB9A (0.44) MAPTGAASMN1; SMN2ALDH1A1TP53
SCHEMBL2852353 0.77 RAB9A (0.44) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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