SCHEMBL2853250

SCHEMBL2853250

Cc1c(C(=O)Nc2cccc3cccnc23)cnn1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.67
NPC1 O15118 10/20 0.67
PKM P14618 2/20 0.67
NAMPT P43490 1/20 0.60
KDR P35968 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL2860254 0.89 RAB9A (0.60) RAB9ANPC1PKMKDRSMN1; SMN2
SCHEMBL2857605 0.84 ALDH1A1 (0.61) KDRSMN1; SMN2KDM4EMAPTMEN1
SCHEMBL2852188 0.84 KDM4E (0.58) RAB9ANPC1KDRSMN1; SMN2KDM4E
SCHEMBL2854574 0.82 HSP90AA1 (0.51) RAB9ANPC1PKMKDRSMN1; SMN2
SCHEMBL19748575 0.77 KDR (0.81) RAB9ANPC1KDRSMN1; SMN2KDM4E
SCHEMBL2860286 0.77 RAB9A (0.87) RAB9ANPC1PKMNAMPTSMN1; SMN2
SCHEMBL2856280 0.76 MAPK14 (0.55) KDRMAPTMEN1KMT2AALDH1A1
SCHEMBL12172758 0.76 MAPT (0.75) RAB9ANPC1KDRSMN1; SMN2KDM4E
SCHEMBL2852805 0.75 KDR (0.56) KDRSMN1; SMN2KDM4EMAPTMEN1
SCHEMBL1507696 0.75 MAPT (0.78) RAB9ANPC1KDRSMN1; SMN2KDM4E

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 2 patents. 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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed