SCHEMBL7906240

SCHEMBL7906240

Cc1ccc(Nc2nc(Cl)nc3c2SCC3)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ THRB P10828 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PIP4K2A P48426 1/20 0.37
▸ PDE4B Q07343 4/20 0.37
▸ PDE4D Q08499 4/20 0.37
▸ HPGD P15428 1/20 0.36
▸ APP P05067 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35

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
SCHEMBL19624259 0.81 NFKB1 (0.51) MAPTNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL375687 0.81 PDE4B (0.44) KMT2AMAPTRAB9ASMN1; SMN2PDE4B
SCHEMBL31572377 0.79 PDE4B (0.44) MEN1KMT2AMAPTPDE4BPDE4D
SCHEMBL31469077 0.76 SYK (0.41) MEN1KMT2AMAPTTP53RAB9A
SCHEMBL31491328 0.75 KIF11 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL30542633 0.74 PDE4B (0.50) PDE4BPDE4DDHODH
SCHEMBL29056205 0.74 PDE4B (0.50) PDE4BPDE4DDHODH
SCHEMBL31469083 0.74 PDE4B (0.47) PDE4BPDE4D
SCHEMBL31572403 0.74 PDE4B (0.43) PDE4BPDE4DDHODH
SCHEMBL13211477 0.74 HPGD (0.46) MEN1KMT2AMAPTTP53NPC1

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-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO disclosed
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