SCHEMBL11124271

SCHEMBL11124271

O=C(Nc1ccccc1)C1=NCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
NFKB1 P19838 1/20 0.48
MAOB P27338 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PTPN1 P18031 3/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 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
SCHEMBL11126954 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL2574478 0.85 PTGS2 (0.43) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL11122647 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL11123963 0.78 NPC1 (0.52) RAB9ANPC1SMN1; SMN2PKMPOLB
SCHEMBL11120007 0.76 HPGD (0.51) RAB9ASMN1; SMN2KMT2AHSD17B10MAPK1
SCHEMBL11122645 0.76 RAB9A (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11126090 0.74 HSD17B10 (0.44) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL11121125 0.74 RAB9A (0.49) RAB9ANPC1SMN1; SMN2PKMNFKB1
Benzene SCHEMBL28149443 0.74 HDAC3 (0.43) NFKB1POLBALDH1A1TSHRKDM4E
SCHEMBL19244157 0.74 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030350-B1 METHOD FOR REDUCING THE TERMINAL CARBOXYL GROUP CONTENT OF A SATURATED POLYESTER, A SATURATED POLYESTER HAVING A REDUCED TERMINAL CARBOXYL GROUP CONTENT, AND A MOLDED ARTICLE COMPOSED OF SUCH A SATURATED POLYESTER TEIJIN LIMITED (JP) 1984-10-10 EP disclosed
US-4351936-A COMPRISING ENDCAPPING WITH AN OXAZOLINE OR OXAZINE TEIJIN LIMITED (JP) 1982-09-28 US disclosed
EP-0030350-A1 Method for reducing the terminal carboxyl group content of a saturated polyester, a saturated polyester having a reduced terminal carboxyl group content, and a molded article composed of such a saturated polyester TEIJIN LIMITED (JP) 1981-06-17 EP disclosed