SCHEMBL2854487

SCHEMBL2854487

O=C(NCc1ccc(Cl)c(Cl)c1)Oc1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
CCR1 P32246 2/20 0.40
MAPK1 P28482 2/20 0.38
TRPV1 Q8NER1 2/20 0.37
P2RX7 Q99572 4/20 0.36
WDR5 P61964 1/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2855591 0.88 CCR2 (0.41) CCR1P2RX7LMNAALDH1A1HPGD
SCHEMBL2857181 0.87 CCR1 (0.47) CCR1LMNAMEN1KMT2AHPGD
SCHEMBL2857977 0.86 ALDH1A1 (0.47) TSHRSMN1; SMN2MAPK1TRPV1LMNA
SCHEMBL2859076 0.85 KEAP1 (0.42) CCR1ALDH1A1
SCHEMBL2862714 0.85 TSHR (0.46) TSHRSMN1; SMN2CCR1MAPK1TRPV1
SCHEMBL2859307 0.85 TSHR (0.46) TSHRSMN1; SMN2CCR1MAPK1TRPV1
SCHEMBL2848180 0.85 CCR1 (0.51) TSHRCCR1WDR5LMNAMEN1
SCHEMBL2852241 0.84 MAPK1 (0.53) TSHRSMN1; SMN2CCR1MAPK1P2RX7
SCHEMBL2856260 0.84 TSHR (0.46) TSHRSMN1; SMN2CCR1MAPK1TRPV1
SCHEMBL2858209 0.84 CCR1 (0.48) TSHRSMN1; SMN2CCR1MAPK1P2RX7

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