SCHEMBL8650053

SCHEMBL8650053

Cc1ccc(C)c(OCc2ccccc2C(C#N)=NOC(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8650051 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8369716 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8369718 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7537855 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8519230 0.84 PTGDR2 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8519232 0.84 PTGDR2 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8589595 0.84 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8589597 0.84 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8997338 0.83 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8997342 0.83 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710314-A FUNGICIDES OR INSECTICIDES OF AROMATIC ETHERS WITH ESTER GROUPS OR AMIDES NOVARTIS CORPORATION (US) 1998-01-20 — — US disclosed
EP-0784606-A1 MICROBICIDES Novartis AG (CH) 1997-07-23 — — EP disclosed
WO-1996010556-A1 MICROBICIDES NOVARTIS AG (CH) 1996-04-11 — — WO disclosed
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