SCHEMBL10907602

SCHEMBL10907602

O=C(Nc1ccc(C(=O)Nc2cccc3c(O)c(S(=O)(=O)O)ccc23)cc1)C(=O)Nc1ccc(C(=O)Nc2cccc3c(O)c(S(=O)(=O)O)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 4/20 0.52
▸ CD40LG P29965 4/20 0.52
▸ FGF1 P05230 1/20 0.47
▸ CCR8 P51685 3/20 0.45
▸ TIMP3 P35625 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PARP1 P09874 5/20 0.40
▸ CA2 P00918 4/20 0.40

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
SCHEMBL11341705 0.93 FGF1 (0.56) CD40CD40LGFGF1CCR8TIMP3
SCHEMBL10907632 0.88 KMT2A (0.52) CD40CD40LGCCR8TIMP3NPC1
SCHEMBL11426641 0.86 CASP6 (0.46) CD40CD40LGFGF1CCR8NPC1
SCHEMBL10907563 0.86 CD40 (0.50) CD40CD40LGFGF1CCR8TIMP3
SCHEMBL10908939 0.85 CD40 (0.52) CD40CD40LGFGF1CCR8TIMP3
SCHEMBL10909141 0.83 CD40 (0.52) CD40CD40LGFGF1CCR8TIMP3
SCHEMBL10907794 0.83 HPSE (0.44) CD40CD40LGCCR8TIMP3NPC1
SCHEMBL11434698 0.82 CD40 (0.66) CD40CD40LGNPC1RAB9APARP1
SCHEMBL10907711 0.82 TIMP3 (0.52) CD40CD40LGFGF1CCR8TIMP3
SCHEMBL10908252 0.82 CD40 (0.57) CD40CD40LGFGF1TIMP3CA2

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
US-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 — — US disclosed
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