SCHEMBL3892931

SCHEMBL3892931

CON(N=C(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GFER P55789 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ MAPT P10636 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ G6PC1 P35575 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ LMNA P02545 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
SCHEMBL11699938 0.74 ALDH1A1 (0.50) HPGDALDH1A1GFERKMT2AMEN1
SCHEMBL4649406 0.73 MEN1 (0.50) HPGDALDH1A1GFERKDM4ETSHR
SCHEMBL10498731 0.70 ALDH1A1 (0.50) HPGDALDH1A1GFERKMT2AMEN1
SCHEMBL15493662 0.69 ALDH1A1 (0.33) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL8655031 0.69 KDM4E (0.53) HPGDALDH1A1KDM4ETSHRKMT2A
SCHEMBL3277745 0.68 RAB9A (0.44) HPGDALDH1A1GFERTSHRKMT2A
SCHEMBL15549217 0.67 ALDH1A1 (0.47) HPGDALDH1A1GFERKMT2AMEN1
SCHEMBL211460 0.66 TSHR (0.44) HPGDALDH1A1GFERTSHRKMT2A
SCHEMBL8087997 0.65 ALDH1A1 (0.70) HPGDALDH1A1GFERKDM4ETSHR
SCHEMBL3820980 0.63 ALDH1A1 (0.47) HPGDALDH1A1GFERKMT2AMEN1

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
US-7557248-B2 Method of forming a carbon-heteroatom bond RHODIA CHIMIE (FR) 2009-07-07 — — US disclosed
US-20070243999-A1 Method of Forming a Carbon-Heteroatom Bond RHODIA CHIMIE (FR) 2007-10-18 — — US disclosed
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