SCHEMBL19861778

SCHEMBL19861778

CC(C)CCCCOC(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 7/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
SLC2A1 P11166 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL16374744 0.86 RAB9A (0.68) TSHRKDM4ELMNASMN1; SMN2NPC1
SCHEMBL19861791 0.84 SMN1; SMN2 (0.58) TSHRKDM4ELMNASMN1; SMN2NPC1
SCHEMBL1952587 0.77 LMNA (0.55) TSHRKDM4ELMNASMN1; SMN2NPC1
SCHEMBL10595749 0.76 LMNA (0.65) TSHRLMNASMN1; SMN2NPC1RAB9A
SCHEMBL19861792 0.76 RAB9A (0.57) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL3930649 0.75 MAPT (0.66) TSHRKDM4ELMNASMN1; SMN2NPC1
SCHEMBL29666364 0.74 RAB9A (0.70) TSHRKDM4ELMNASMN1; SMN2NPC1
SCHEMBL10476873 0.72 RAB9A (0.80) TSHRKDM4ELMNASMN1; SMN2NPC1
SCHEMBL698089 0.72 RAB9A (0.60) TSHRKDM4ELMNASMN1; SMN2NPC1
SCHEMBL4652669 0.71 LMNA (0.69) TSHRLMNASMN1; SMN2NPC1RAB9A

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-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed