SCHEMBL847146

SCHEMBL847146

O=C(Nc1cnc2ccccc2c1)c1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.61
KDR P35968 6/20 0.58
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MITF O75030 1/20 0.54
XBP1 P17861 1/20 0.54
PAX8 Q06710 1/20 0.54
KLF5 Q13887 1/20 0.54
ALOX15 P16050 3/20 0.53
TRPV1 Q8NER1 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
IDO1 P14902 1/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL846035 0.91 MEN1 (0.62) TMPRSS4KDRNPC1RAB9AALDH1A1
SCHEMBL14516656 0.77 NPC1 (0.68) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL330381 0.76 TMPRSS4 (1.00) TMPRSS4KDRNPC1RAB9AALDH1A1
SCHEMBL16627058 0.75 NPC1 (0.78) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL14339880 0.75 IDO1 (0.65) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL995474 0.75 KDR (1.00) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL5578096 0.73 NPC1 (0.81) TMPRSS4KDRNPC1RAB9AALDH1A1
SCHEMBL14516654 0.73 MEN1 (0.70) MEN1KMT2ARXFP1PYGL
SCHEMBL847002 0.73 TMPRSS4 (0.53) TMPRSS4KDRNPC1RAB9AALDH1A1
SCHEMBL935558 0.72 NPC1 (0.70) TMPRSS4KDRNPC1RAB9AALDH1A1

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-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed