SCHEMBL9030656

SCHEMBL9030656

CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 6/20 0.49
TP53 P04637 4/20 0.49
MAPT P10636 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
FPR1 P21462 1/20 0.44
FPR2 P25090 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 3/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.40
BRD4 O60885 1/20 0.40
CYP3A4 P08684 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
SCHEMBL6908195 1.00 RAB9A (0.49) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6905018 0.93 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6908080 0.89 RAB9A (0.45) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6906796 0.88 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6906802 0.88 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6905976 0.88 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6903793 0.88 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6905863 0.84 FPR1 (0.51) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL9032753 0.84 FPR1 (0.51) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6908592 0.83 FPR1 (0.45) RAB9ASMN1; SMN2NPC1TP53MAPT

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