SCHEMBL11239307

SCHEMBL11239307

Cc1cccc(C(=O)OC(c2cccnc2)C(Cl)(Cl)Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 2/20 0.40
CSF1R P07333 1/20 0.40
VNN1 O95497 1/20 0.40
GRM1 Q13255 1/20 0.40

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
SCHEMBL11248372 0.85 PLOD2 (0.44) KMT2AALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL11235465 0.78 GAA (0.47) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL11228700 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL11244188 0.75 RAB9A (0.52) KMT2AALDH1A1MEN1MAPTCYP3A4
SCHEMBL11241260 0.75 LMNA (0.43) ALDH1A1MAPT
SCHEMBL11244521 0.75 POLB (0.39) KMT2AALDH1A1MEN1CYP3A4KDM4E
SCHEMBL11252785 0.74 SMN1; SMN2 (0.48) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL11246880 0.74 SMN1; SMN2 (0.46) KMT2AALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL11233129 0.73 TSHR (0.41) ALDH1A1KDM4E
SCHEMBL11236544 0.73 KCNA5 (0.43) ALDH1A1

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-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US claimed