SCHEMBL8251311

SCHEMBL8251311

CCCCOc1ccc(C)nc1Cn1c(N)nc2ccc(CCl)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.42
▸ CSF1R P07333 12/20 0.41
▸ SOS1 Q07889 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ CXCL8 P10145 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL8247680 0.90 TLR8 (0.42) TLR8CSF1RSOS1ALDH1A1POLB
SCHEMBL8241914 0.80 SOS1 (0.43) TLR8CSF1RSOS1ALDH1A1POLB
SCHEMBL11984813 0.79 S1PR4 (0.39) S1PR4
SCHEMBL8252433 0.79 S1PR4 (0.36) ALDH1A1S1PR4
SCHEMBL8251906 0.78 AGTR2 (0.39) S1PR4
SCHEMBL8249741 0.77 F2 (0.36) ALDH1A1S1PR4
SCHEMBL8242381 0.77 TLR7 (0.35) S1PR4
SCHEMBL8284703 0.76 CSF1R (0.47) CSF1RSOS1ALDH1A1POLBHTT
SCHEMBL8242374 0.76 AGTR2 (0.39) —
SCHEMBL8247681 0.76 CSF1R (0.32) TLR8CSF1R

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
WO-2006136561-A1 1- ( 2-AMINO-3- (SUBSTITUTED ALKYL)-3H-BENZIMIDAZOIYLMETHYL) -3-SUBTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES WITH ACTIVITY ON RESPIRATORY SYNCYTIAL VIRUS TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 — — WO disclosed
Send feedback