SCHEMBL5485539

SCHEMBL5485539

Nc1ccccc1C1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.40
CASP6 P55212 1/20 0.40
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GID4 Q8IVV7 1/20 0.33
HTR2A P28223 1/20 0.32
TSHR P16473 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
KDM1A O60341 4/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL20216424 0.86 CYP3A4 (0.39) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL3727526 0.83 TSHR (0.36) SMN1; SMN2NPC1RAB9AHTR2ATSHR
SCHEMBL29949338 0.83 NSD2 (0.41) NSD2CASP6ALOX15CYP3A4CASP1
SCHEMBL26965532 0.83 NSD2 (0.41) NSD2CASP6ALOX15CYP3A4CASP1
SCHEMBL4555644 0.81 CYP3A4 (0.35) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL26100788 0.79 NSD2 (0.40) NSD2CASP6CYP3A4NPC1RAB9A
SCHEMBL10442292 0.74 TSHR (0.46) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL27783480 0.74 MMP2 (0.37) NSD2CASP6CASP7SMN1; SMN2GAA
SCHEMBL4846202 0.74 MAPKAPK2 (0.35) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL8733878 0.73 KMT2A (0.32) SMN1; SMN2NPC1RAB9AALDH1A1TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220786-B1 SUBSTITUTED QUINAZOLINONES ORTHO PHARMA CORP (US) 1990-11-22 EP claimed
EP-0220786-A2 Substituted quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1987-05-06 EP claimed
EP-1845083-A2 New arylsulfonohydrazide inhibitors of enzymes MurC and MurD UNIVERZA V LJUBLJANI, FAKULTETA ZA FARMACIJO (SI) 2007-10-17 EP disclosed
EP-0802915-B1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORP (KR) 2002-12-04 EP disclosed
US-6265413-B1 WATER SOLUBILITY; ANTICARCINOGENIC AGENTS CHONG KUN DANG CORP. (KR) 2001-07-24 US disclosed
US-6177568-B1 ANTINEOPLASTIC AGENTS CHONG KUN DANG CORP. (KR) 2001-01-23 US disclosed
EP-0802915-A1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORP (KR) 1997-10-29 EP disclosed
WO-1996021666-A1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORPORATION (KR) 1996-07-18 WO disclosed