SCHEMBL7527581

SCHEMBL7527581

O=C(O)CC(C=C(Cl)Cl)c1cccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CTSA P10619 6/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL7522886 0.78 MEN1 (0.47) LMNACTSAALDH1A1CYP1A2MEN1
SCHEMBL7524690 0.76 GLRA1 (0.40) SMN1; SMN2LMNACTSACYP1A2FFAR1
SCHEMBL7518828 0.76 CTSA (0.43) CTSA
SCHEMBL7522384 0.76 EEF2K (0.42) CTSAALDH1A1MEN1KMT2A
SCHEMBL7524496 0.73 GABBR2 (0.46) SMN1; SMN2CTSACYP1A2CYP2C19FFAR1
SCHEMBL7519215 0.72 AKR1B1 (0.42) CTSAPOLBALDH1A1CYP1A2KMT2A
SCHEMBL7524253 0.72 MME (0.40) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL7522036 0.72 EEF2K (0.44) SMN1; SMN2CTSAFFAR1
SCHEMBL7524713 0.72 ITGB3 (0.46) SMN1; SMN2CTSA
SCHEMBL7527677 0.70 CTSA (0.41) LMNACTSAPOLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181267-A1 HALOGEN COMPOUNDS Bayer Aktiengesellschaft (DE) 2002-02-27 EP disclosed
WO-2000071500-A1 HALOGEN COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2000-11-30 WO disclosed