SCHEMBL8804285

SCHEMBL8804285

O=C(Cc1c(Cc2ccc(F)cc2)[nH]c2ccccc12)Nc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CCKBR P32239 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2C9 P11712 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
SCHEMBL5530790 0.81 NPC1 (0.43) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL8806674 0.78 GAA (0.64) KMT2AMEN1KDM4EHSD17B10GAA
SCHEMBL8804263 0.75 CYP3A4 (0.52) KMT2AMEN1KDM4ECCKBRSMN1; SMN2
SCHEMBL8805163 0.74 EGFR (0.53) KMT2AMEN1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8805923 0.74 ROCK2 (0.45) KMT2AMEN1GAASMN1; SMN2NPC1
SCHEMBL8805727 0.74 RAB9A (0.57) KMT2AMEN1KDM4ESMN1; SMN2NPC1
SCHEMBL8804981 0.73 ROCK2 (0.54) KMT2AMEN1KDM4EHSD17B10CCKBR
SCHEMBL8805800 0.73 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL8805578 0.72 ALDH1A1 (0.51) KMT2AMEN1CCKBRSMN1; SMN2CYP1A2
SCHEMBL8805183 0.72 CYP3A4 (0.49) KMT2AMEN1KDM4ECCKBRGAA

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-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 EP disclosed