SCHEMBL9618758

SCHEMBL9618758

C=CCOC(=O)CCO/N=C/c1c[c]ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9618844 0.86 L3MBTL1 (0.35) SMN1; SMN2TSHRCYP3A4MEN1KMT2A
SCHEMBL9618806 0.85 ALDH1A1 (0.32)
SCHEMBL9618924 0.84 GSTP1 (0.34) TSHR
SCHEMBL9618769 0.83 MAPT (0.35) SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL10548152 0.83 TSHR (0.35) TSHR
SCHEMBL9618983 0.83 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL10551282 0.83 MAPT (0.31) TSHR
SCHEMBL9618934 0.81 EPHX2 (0.37) TSHR
SCHEMBL9618883 0.81
SCHEMBL10553698 0.80 ALDH1A1 (0.37) SMN1; SMN2TSHRCYP3A4MEN1KMT2A

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-0236916-B1 N-ARYLTETRAHYDROPHTHALIMIDE DERIVATIVES AND THEIR PRECURSORS BASF Aktiengesellschaft (DE) 1992-01-08 EP disclosed
US-4844733-A PRE- AND POSTEMERGENCE BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0236916-A2 N-aryltetrahydrophthalimide derivatives and their precursors BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed