SCHEMBL7525873

SCHEMBL7525873

O=C(Cl)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.64
PTPN11 Q06124 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
HTT P42858 2/20 0.63
MITF O75030 1/20 0.63
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
DEGS1 O15121 1/20 0.55
CNR1 P21554 2/20 0.53
SMO Q99835 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 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
SCHEMBL992038 0.86 EPHX2 (0.64) PTPN1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11154886 0.83 NPC1 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL2820119 0.83 PTPN1 (0.71) PTPN1PTPN11SMN1; SMN2ALDH1A1NPC1
SCHEMBL6621497 0.82 PTPN1 (0.69) PTPN1PTPN11SMN1; SMN2ALDH1A1NPC1
SCHEMBL8789419 0.80 PTPN1 (0.67) PTPN1PTPN11SMN1; SMN2ALDH1A1NPC1
SCHEMBL5359926 0.80 SMN1; SMN2 (0.77) PTPN1PTPN11SMN1; SMN2NPC1RAB9A
SCHEMBL171741 0.78 L3MBTL1 (0.83) PTPN1PTPN11SMN1; SMN2ALDH1A1NPC1
SCHEMBL4281427 0.78 MAPT (0.70) PTPN1PTPN11SMN1; SMN2ALDH1A1NPC1
SCHEMBL2823028 0.78 PTPN1 (1.00) PTPN1PTPN11SMN1; SMN2ALDH1A1NPC1
SCHEMBL1177104 0.78 PTPN1 (0.64) PTPN1PTPN11SMN1; SMN2ALDH1A1NPC1

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-1183246-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-03-06 EP disclosed
WO-2000071527-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-11-30 WO disclosed