SCHEMBL7847465

SCHEMBL7847465

O=C(CCc1c[nH]c2ccccc12)NCc1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
STAT3 P40763 1/20 0.58
RAB9A P51151 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
GFER P55789 1/20 0.55
MTNR1A P48039 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL26485826 0.81 RAB9A (0.78) POLBMEN1KMT2AMAPTSTAT3
SCHEMBL8278816 0.80 SMN1; SMN2 (0.60) POLBKMT2ARAB9AGAAALDH1A1
SCHEMBL7838803 0.80 LMNA (0.76) POLBMEN1KMT2AMAPTGAA
SCHEMBL7847985 0.79 KMT2A (0.58) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL7847723 0.79 POLB (0.64) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL7848175 0.78 POLB (0.67) POLBMEN1KMT2AMAPTGAA
SCHEMBL7677886 0.78 MEN1 (0.84) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL17309683 0.77 LMNA (0.57) POLBKMT2AMAPTRAB9AGAA
SCHEMBL7849208 0.77 POLB (0.61) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL13973308 0.76 MAPT (0.74) POLBMEN1KMT2AMAPTGAA

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-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed