SCHEMBL2854852

SCHEMBL2854852

O=C(NCc1cccnc1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.49
KMT2A Q03164 2/20 0.47
DHODH Q02127 1/20 0.46
MCHR1 Q99705 1/20 0.46
CCR1 P32246 3/20 0.45
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EPHX1 P07099 1/20 0.43
NAMPT P43490 2/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALPG P10696 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 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
SCHEMBL2853193 0.91 MAPT (0.43) ABCB1KMT2ADHODHMCHR1CCR1
SCHEMBL2853388 0.90 CCR1 (0.48) ABCB1KMT2ADHODHCCR1SMN1; SMN2
SCHEMBL2854322 0.89 ABCB1 (0.45) ABCB1CCR1SMN1; SMN2NAMPTKDM4E
SCHEMBL2860435 0.89 NAMPT (0.46) KMT2ADHODHEPHX1NAMPTGAA
SCHEMBL2856356 0.86 ALDH1A1 (0.47) ABCB1KMT2ACCR1HTTSMN1; SMN2
SCHEMBL2849956 0.86 CCR1 (0.62) KMT2ACCR1LMNAGAAMEN1
SCHEMBL2855714 0.85 EPHX1 (0.45) KMT2AHTTEPHX1NAMPTMEN1
SCHEMBL2853334 0.85 CCR1 (0.47) CCR1ALDH1A1
SCHEMBL2850425 0.85 P2RX7 (0.49) CCR1
SCHEMBL2852635 0.85 EPHX1 (0.44) KMT2AMCHR1EPHX1NAMPTMEN1

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