SCHEMBL8365170

SCHEMBL8365170

CNC(CCCN)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ GAA P10253 1/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ LMNA P02545 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ROCK2 O75116 4/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ EPHX1 P07099 1/20 0.44

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
SCHEMBL25455582 0.84 MC4R (0.56) —
SCHEMBL13437223 0.83 EPHX1 (0.47) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL8362464 0.83 LTA4H (0.56) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL9489894 0.82 MEN1 (0.49) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL7618233 0.79 LTA4H (0.61) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL8591091 0.79 RAB9A (0.50) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL7860801 0.77 LTA4H (0.51) SMN1; SMN2HDAC1HDAC2
SCHEMBL7850353 0.76 LTA4H (0.50) MEN1KMT2ALMNAROCK2HTR1E
SCHEMBL7857988 0.76 FCER2 (0.46) RAB9ANPC1
SCHEMBL9195141 0.76 RAB9A (0.50) RAB9ASMN1; SMN2GAAMEN1KMT2A

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-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 — — WO disclosed
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