SCHEMBL2854563

SCHEMBL2854563

O=C(NCc1ccccc1Cl)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.57
NR3C1 P04150 1/20 0.46
CCR1 P32246 1/20 0.46
PKM P14618 1/20 0.41
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL2858268 0.93 P2RX7 (0.48) P2RX7CACNA1GCACNA1HKDM4EALDH1A1
SCHEMBL2853063 0.90 P2RX7 (0.48) P2RX7NR3C1CCR1CACNA1GCACNA1H
SCHEMBL2857989 0.90 P2RX7 (0.49) P2RX7NR3C1CCR1CACNA1GCACNA1H
SCHEMBL2853354 0.89 P2RX7 (0.63) P2RX7LMNA
SCHEMBL2852117 0.88 P2RX7 (0.48) P2RX7CCR1CACNA1GCACNA1HALDH1A1
SCHEMBL2850369 0.86 P2RX7 (0.56) P2RX7NR3C1CCR1PKMTP53
SCHEMBL2854804 0.86 MAPK1 (0.48) P2RX7CCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2850425 0.84 P2RX7 (0.49) P2RX7CCR1TP53POLBMAPT
SCHEMBL2856615 0.84 P2RX7 (0.48) P2RX7CCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2854847 0.84 ALDH1A1 (0.48) P2RX7CCR1KDM4EALDH1A1SMN1; SMN2

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