SCHEMBL11301568

SCHEMBL11301568

O=C(OCC#CI)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.44
MGLL Q99685 2/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42

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
SCHEMBL27410089 0.85 HTR2A (0.52) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL11301604 0.83 F2 (0.52) HTR2AALDH1A1MAPTLMNACYP2C9
SCHEMBL11310599 0.83 HTR2A (0.53) HTR2AALDH1A1
SCHEMBL19554277 0.82 HTR2A (0.54) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL25764 0.81 HTR2A (0.57) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL25067331 0.81 HTR2A (0.46) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL11310846 0.81 MEN1 (0.42) SMN1; SMN2ALDH1A1PKMKMT2AMAPT
SCHEMBL409598 0.81 HTR2A (0.59) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL11307367 0.81 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1PKMKMT2AMAPT
SCHEMBL15863990 0.80 LMNA (0.47) ALDH1A1MAPTLMNACA1CA2

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
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed