SCHEMBL7378373

SCHEMBL7378373

COc1ccc(COc2ccc(C#N)cc2C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.48
▸ CCR5 P51681 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CSF1R P07333 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ APP P05067 1/20 0.42

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
SCHEMBL7383657 0.88 CCNB2 (0.47) CCR5RAB9ANPC1TDP1CSF1R
SCHEMBL7383659 0.88 CCNB2 (0.47) CCR5RAB9ANPC1TDP1CSF1R
SCHEMBL26473036 0.87 TUBB1 (0.48) TUBB1CCR5RAB9ANPC1TDP1
SCHEMBL21347524 0.85 TUBB1 (0.59) TUBB1CCR5RAB9ANPC1TDP1
SCHEMBL6325013 0.84 MAOB (0.54) CCR5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7147744 0.84 TUBB1 (0.66) TUBB1CCR5RAB9ANPC1TDP1
SCHEMBL524596 0.82 AR (0.55) CSF1RMAOBMAOAAPP
SCHEMBL30170765 0.82 AR (0.55) CSF1RMAOBMAOAAPP
SCHEMBL5286017 0.81 ALDH1A1 (0.56) TUBB1CCR5RAB9ANPC1TDP1
SCHEMBL5631282 0.80 TUBB1 (0.51) TUBB1CCR5RAB9ANPC1TDP1

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
EP-1200405-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2002-05-02 — — EP disclosed
US-6350761-B1 INHIBITORS OF THE ENZYME, FACTOR XA; BERLEX LABORATORIES, INC. 2002-02-26 — — US disclosed
WO-2001009093-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-02-08 — — WO disclosed
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