SCHEMBL8476642

SCHEMBL8476642

Cc1cc([O])cc(OS(=O)(=O)c2cccc3cnccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.61
PRKD3 O94806 4/20 0.46
PRKCG P05129 4/20 0.46
PRKCB P05771 4/20 0.46
PRKCA P17252 4/20 0.46
PRKCH P24723 4/20 0.46
PRKCI P41743 4/20 0.46
PRKCE Q02156 4/20 0.46
PRKCQ Q04759 4/20 0.46
PRKCZ Q05513 4/20 0.46
PRKCD Q05655 4/20 0.46
PRKD1 Q15139 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 2/20 0.46
NFKB1 P19838 2/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 2/20 0.46
PMP22 Q01453 1/20 0.46
PRKACA P17612 3/20 0.44
PRKACG P22612 3/20 0.44

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
SCHEMBL5674500 0.88 F2 (0.63) F2PRKD3PRKCGPRKCBPRKCA
Orcinol SCHEMBL5676130 0.86 F2 (0.61) F2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8478443 0.85 F2 (0.53) F2MEN1KMT2A
SCHEMBL8483618 0.82 F2 (0.58) F2PRKD3PRKCGPRKCBPRKCA
SCHEMBL5674536 0.82 F2 (0.75) F2P2RX7
SCHEMBL6749583 0.81 F2 (0.77) F2
SCHEMBL5673005 0.81 F2 (0.68) F2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8481901 0.81 F2 (0.61) F2LMNASMN1; SMN2P2RX7
SCHEMBL5698943 0.79 P2RX7 (0.52) F2PRKD3PRKCGPRKCBPRKCA
SCHEMBL29566137 0.79 P2RX7 (0.52) F2PRKD3PRKCGPRKCBPRKCA

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-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed