SCHEMBL28148161

SCHEMBL28148161

Cc1onc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ GMNN O75496 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ PIM1 P11309 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ AGTR1 P30556 1/20 0.56
▸ CCKBR P32239 1/20 0.56
▸ MC4R P32245 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ THPO P40225 1/20 0.56

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
SCHEMBL7880670 0.90 LMNA (0.56) NPC1RAB9ASMN1; SMN2GMNNLMNA
SCHEMBL27319189 0.84 GFER (0.49) SMN1; SMN2LMNATP53PTGS2MAPK1
SCHEMBL6707794 0.83 GFER (0.65) NPC1RAB9ASMN1; SMN2GMNNLMNA
SCHEMBL9429480 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2GMNNLMNA
SCHEMBL9428482 0.82 HTT (0.54) NPC1RAB9ASMN1; SMN2GMNNLMNA
SCHEMBL27322188 0.81 PTGS2 (0.59) SMN1; SMN2LMNATP53PTGS2MAPK1
SCHEMBL9429816 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GMNNLMNA
SCHEMBL27315061 0.80 CYP1A2 (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL9428786 0.80 HTT (0.65) NPC1RAB9ASMN1; SMN2GMNNLMNA
SCHEMBL9429597 0.80 HTT (0.51) NPC1RAB9ASMN1; SMN2GMNNLMNA

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
CN-107922427-A Antiviral compounds 艾丽奥斯生物制药有限公司 2018-04-17 — — CN claimed
CN-106999509-A Therapeutic alliance for treating paramyxovirus 艾丽奥斯生物制药有限公司 2017-08-01 — — CN claimed
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