SCHEMBL2858313

SCHEMBL2858313

Cc1c(OC(=O)NCc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.56
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.49
PPARG P37231 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
CCR1 P32246 1/20 0.46
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 5/20 0.45
CNR2 P34972 4/20 0.45
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2852334 0.88 HPGD (0.55) SMN1; SMN2HPGDCCR1RAB9AMEN1
SCHEMBL2861261 0.87 HPGD (0.64) SMN1; SMN2HPGDRAB9AMEN1NPC1
SCHEMBL2859307 0.85 TSHR (0.46) P2RX7TSHRSMN1; SMN2PPARGNPSR1
SCHEMBL2854337 0.84 HPGD (0.53) SMN1; SMN2HPGDCCR1RAB9ANPC1
SCHEMBL2853267 0.84 HPGD (0.55) P2RX7SMN1; SMN2HPGDCCR1RAB9A
SCHEMBL2858097 0.84 P2RX7 (0.53) P2RX7HPGDRAB9ANPC1LMNA
SCHEMBL2848480 0.82 ALDH1A1 (0.61) TSHRSMN1; SMN2HPGDRAB9AMEN1
SCHEMBL2856450 0.82 HPGD (0.74) P2RX7SMN1; SMN2HPGDCCR1RAB9A
SCHEMBL2859509 0.81 KMT2A (0.54) TSHRSMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL2854225 0.81 CCR1 (0.60) HPGDNPSR1CCR1MAPT

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