SCHEMBL22193620

SCHEMBL22193620

COc1cc(-c2ccc(OC#N)c(C)c2)ccc1OC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.44
▸ PDGFRA P16234 2/20 0.44
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PRKCZ Q05513 1/20 0.39
▸ AR P10275 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL20130814 0.91 PDE4A (0.47) PDGFRBPDGFRAMAPTKDM4EPDE4A
SCHEMBL20367423 0.90 S1PR1 (0.46) MAPTPDE4AALDH1A1TSHRCYP3A4
SCHEMBL11033634 0.89 ALDH1A1 (0.38) PDGFRBPDGFRAMAPTKDM4EALDH1A1
SCHEMBL20734712 0.79 KIF11 (0.42) ALDH1A1TSHRHSD17B10AR
SCHEMBL15342384 0.79 PDGFRB (0.57) PDGFRBPDGFRAMAPTKDM4EPDE4A
SCHEMBL22697440 0.78 PDCD1 (0.51) MAPTKDM4EPDE4AALDH1A1TSHR
SCHEMBL12326161 0.77 PDGFRB (0.58) PDGFRBPDGFRAMAPTKDM4EPDE4A
SCHEMBL25897040 0.77 CA12 (0.47) MAPTKDM4EPDE4AALDH1A1TSHR
SCHEMBL18961241 0.75 ALDH1A1 (0.74) PDGFRBPDGFRAMAPTKDM4EPDE4A
SCHEMBL17174002 0.74 PDCD1 (0.42) MAPTKDM4EPDE4AALDH1A1S1PR1

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
EP-3677650-A1 INK COMPOSITION, METHOD FOR PRODUCING SAME, AND IMAGE FORMING METHOD FUJIFILM Corporation (JP) 2020-07-08 — — EP disclosed
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