SCHEMBL9031982

SCHEMBL9031982

O=C(Nc1ccc(Cl)cn1)NC1CC1c1c(F)ccc(O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
FPR1 P21462 1/20 0.46
FPR2 P25090 1/20 0.46
RAB9A P51151 8/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.43
PTK2 Q05397 1/20 0.41
MEN1 O00255 2/20 0.40
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6909347 1.00 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL6906200 0.88 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL6907303 0.85 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL6907299 0.85 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL9034398 0.84 FPR1 (0.47) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL6907434 0.84 FPR1 (0.47) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL6903793 0.84 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL6906802 0.84 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL6906796 0.84 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A
SCHEMBL27514889 0.82 FPR1 (0.45) SMN1; SMN2L3MBTL1FPR1FPR2RAB9A

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-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 WO disclosed